643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6,6a]	3:3:4:	3:1:1:1:	3:4:3:	C[5,6,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]Br)(CH3)	C(C[6a]C[5,6,6a]C[6a])(H)3	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]C)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]Br)(CH3){1|Br<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6a]C[5,6,6a]C[6a])(H)3	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]C){1|Br<1>,1|C<2>,1|C<3>,2|C<4>,2|H<1>}	121.9540	0.000	1	122.1970	0.118	2	122.1970	0.118	2	122.1970	0.118	2	123.7207	3.305	4	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6,6a]	3:3:4:	3:1:1:1:	3:4:3:	C[5,6,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]Br)(CH3)	C(C[6a]C[5,6,6a]C[6a])(H)3	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]C)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]Br)(CH3){1|Br<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6a]C[5,6,6a]C[6a])(H)3	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]C){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	122.4400	0.000	1	122.1970	0.118	2	122.1970	0.118	2	122.1970	0.118	2	123.7207	3.305	4	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6,6a]	3:3:4:	3:3:1:1:	4:3:3:	C[5,6,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(CCHH)	C(C[6a]C[5,6,6a]C[6a])(CCH)(H)2	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(CCHH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6a]C[5,6,6a]C[6a])(CCH)(H)2	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]C){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	124.7400	0.000	1	125.2445	0.509	2	125.2445	0.509	2	125.2445	0.509	2	123.7207	3.305	4	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6,6a]	3:3:4:	3:3:1:1:	4:3:3:	C[5,6,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(CCHH)	C(C[6a]C[5,6,6a]C[6a])(CCH)(H)2	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(CCHH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6a]C[5,6,6a]C[6a])(CCH)(H)2	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]C){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	125.7490	0.000	1	125.2445	0.509	2	125.2445	0.509	2	125.2445	0.509	2	123.7207	3.305	4	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:N[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(CH3)	C(C[6a]C[5,6a]N[6a])(H)3	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C)	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(CH3){4|C<3>}	C(C[6a]C[5,6a]N[6a])(H)3	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	122.8205	0.046	2	122.8205	0.002	2	122.8205	0.002	2	122.8380	0.001	4	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:N[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(CH3)	C(C[6a]C[5,6a]N[6a])(H)3	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]N[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(CH3){1|N<3>,4|C<3>}	C(C[6a]C[5,6a]N[6a])(H)3	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]N[5]C){1|O<1>,3|C<3>}	122.8660	0.000	1	122.8660	0.000	1	122.8555	0.000	2	122.8380	0.001	4	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:N[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(CH3)	C(C[6a]C[5,6a]N[6a])(H)3	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(CH3){1|N<3>,1|O<1>,3|C<3>}	C(C[6a]C[5,6a]N[6a])(H)3	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]N[5]O){1|O<1>,3|C<3>}	122.8450	0.000	1	122.8450	0.000	1	122.8555	0.000	2	122.8380	0.001	4	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:2:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:N[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[5a,6a])(CH3)	C(C[6a]C[5,6a]N[6a])(H)3	C[5,6a](C[5,6a]N[5a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[5a,6a])(CH3){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C(C[6a]C[5,6a]N[6a])(H)3	C[5,6a](C[5,6a]N[5a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH){1|C<3>,1|N<2>,4|H<1>}	120.1037	0.494	6	120.1037	0.244	6	120.7215	0.810	10	120.7215	0.810	10	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:2:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:N[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CH3)	C(C[6a]C[5,6a]N[6a])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]N[6a]C)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[6a]C[5,6a]N[6a])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]N[6a]C)(C[5]O[5]HH){1|C<3>,1|H<1>,2|C<4>}	121.2830	0.000	1	121.2830	0.000	1	120.7215	0.810	10	120.7215	0.810	10	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:2:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:N[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CH3)	C(C[6a]C[5,6a]N[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CH3){1|C<3>,2|H<1>,3|C<4>}	C(C[6a]C[5,6a]N[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	122.0640	0.000	1	122.0640	0.000	1	120.7215	0.810	10	120.7215	0.810	10	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:2:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:N[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CH3)	C(C[6a]C[5,6a]N[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C(C[6a]C[5,6a]N[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]N[5]HH){1|S<4>,2|C<3>,2|H<1>}	121.7560	0.000	1	121.7560	0.000	1	120.7215	0.810	10	120.7215	0.810	10	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:2:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:N[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CH3)	C(C[6a]C[5,6a]N[6a])(H)3	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CH3){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C(C[6a]C[5,6a]N[6a])(H)3	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH){2|H<1>,3|C<3>}	121.4900	0.000	1	121.4900	0.000	1	120.7215	0.810	10	120.7215	0.810	10	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:2:4:	3:1:1:1:	3:4:3:	C[5,6a]-3:N[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(N[6a]C[6a,6a])(CH3)	C(C[6a]C[5,6a]N[6a])(H)3	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[5,6]C[5,6]N[6]C)(C[6a]N[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,6])(N[6a]C[6a,6a])(CH3){1|N<3>,2|C<3>,3|C<4>}	C(C[6a]C[5,6a]N[6a])(H)3	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[5,6]C[5,6]N[6]C)(C[6a]N[6a]C){4|C<3>,4|H<1>}	122.1950	0.000	1	122.1950	0.000	1	122.1950	0.000	1	122.1950	0.000	1	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:2:4:	3:1:1:1:	4:3:3:	C[5,6a]-3:N[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(N[6a]C[6a])(CH3)	C(C[6a]C[5,6a]N[6a])(H)3	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]N[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,6])(N[6a]C[6a])(CH3){2|C<4>,4|C<3>}	C(C[6a]C[5,6a]N[6a])(H)3	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]N[6a]C){2|C<4>,3|H<1>,4|C<3>}	123.2360	0.451	2	123.2360	0.204	2	123.2360	0.204	2	123.2360	0.204	2	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(CC[6a]HH)	C(C[6a]C[5,6a]N[6a])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C)	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(CC[6a]HH){4|C<3>}	C(C[6a]C[5,6a]N[6a])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	123.5805	0.173	2	123.5805	0.030	2	123.5805	0.030	2	123.5805	0.030	2	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:O[6a]-2:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a])(CCHH)	C(C[6a]C[5,6a]O[6a])(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]O[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a])(CCHH){2|O<1>,3|C<3>}	C(C[6a]C[5,6a]O[6a])(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]O[6a]C){1|H<1>,3|C<3>}	126.4440	0.137	3	126.4440	0.019	3	126.4440	0.019	3	126.4440	0.019	3	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:2:4:	3:4:1:1:	3:3:4:	C[5,6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(CCHH)	C(C[6a]C[5,6a]N[6a])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(CCHH){2|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[5,6a]N[6a])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH){2|C<3>,4|H<1>}	122.0900	0.000	1	122.0900	0.000	1	122.0900	0.000	1	122.0900	0.000	1	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:2:4:	3:4:1:1:	3:4:3:	C[5,6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(N[6a]C[6a])(CCHH)	C(C[6a]C[5,6a]N[6a])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]O[5]CC)(C[6a]N[6a]C)	C[6a](C[5,6a]C[5,6a]Si[5])(N[6a]C[6a])(CCHH){1|C<3>,1|O<2>,4|C<4>}	C(C[6a]C[5,6a]N[6a])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]O[5]CC)(C[6a]N[6a]C){1|C<3>,3|H<1>}	121.8200	0.000	1	121.8200	0.000	1	121.8200	0.000	1	121.8200	0.000	1	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:2:4:	3:4:4:4:	3:3:3:	C[5,6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CC3)	C(C[6a]C[5,6a]N[6a])(CH3)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]N[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(CC3){1|C<4>,1|O<1>,3|C<3>}	C(C[6a]C[5,6a]N[6a])(CH3)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]N[6a]C){1|H<1>,3|C<3>}	124.2480	0.000	1	124.2480	0.000	1	124.2480	0.000	1	126.9705	14.824	2	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:2:4:	3:4:4:4:	3:3:3:	C[5,6a]-3:O[6a]-2:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a])(CC3)	C(C[6a]C[5,6a]O[6a])(CH3)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]O[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a])(CC3){2|O<1>,3|C<3>}	C(C[6a]C[5,6a]O[6a])(CH3)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]O[6a]C){1|H<1>,3|C<3>}	129.6930	0.000	1	129.6930	0.000	1	129.6930	0.000	1	126.9705	14.824	2	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:2:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]O[6a]C)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(O[5]C[5,5,6])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]O[6a]C)(CH3){1|C<3>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(O[5]C[5,5,6])(C[6a]C[6a]C){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	120.7110	0.000	1	120.7110	0.000	1	120.7110	0.000	1	120.9347	0.038	3	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:2:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:Se[5]-2:C[6a]-3:	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	121.0465	0.019	2	121.0465	0.000	2	121.0465	0.000	2	120.9347	0.038	3	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a](C[5,6a]C[5,6a]S[5])2(CH3)	C(C[6a]C[5,6a]2)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])2(CH3){5|C<3>}	C(C[6a]C[5,6a]2)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(S[5]C[5]){1|H<1>,1|O<1>,1|S<2>,2|C<3>}	122.4510	0.532	2	122.4510	0.283	2	122.4510	0.283	2	121.5100	2.013	28	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6a]-3:C[6,6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(CH3)	C(C[6a]C[5,6a]C[6,6a])(H)3	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6,6a]C)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C(C[6a]C[5,6a]C[6,6a])(H)3	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6,6a]C)(O[5]C[5,5]){1|C<3>,1|H<1>,4|C<4>}	121.7270	0.000	1	121.7270	0.000	1	121.7270	0.000	1	121.5100	2.013	28	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]H)(CH3){1|C<4>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	121.4650	0.000	1	121.4650	0.000	1	121.4546	2.629	20	121.5100	2.013	28	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]O)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]O)(CH3){1|C<4>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	121.2732	0.893	5	121.2732	0.797	5	121.4546	2.629	20	121.5100	2.013	28	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]O)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]O)(CH3){1|C<3>,1|O<2>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.7920	0.158	2	122.7920	0.025	2	121.4546	2.629	20	121.5100	2.013	28	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]O)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]O)(CH3){1|C<4>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	121.6317	1.138	4	121.6317	1.296	4	121.4546	2.629	20	121.5100	2.013	28	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(CH3){1|C<3>,1|O<2>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(O[5]C[5,5]){2|C<3>,2|C<4>,3|H<1>}	120.7230	0.000	1	120.7230	0.000	1	121.4546	2.629	20	121.5100	2.013	28	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	121.9860	0.000	1	121.9860	0.000	1	121.4546	2.629	20	121.5100	2.013	28	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,5]){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	122.0520	0.000	1	122.0520	0.000	1	121.4546	2.629	20	121.5100	2.013	28	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(CH3){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	115.7250	0.000	1	115.7250	0.000	1	121.4546	2.629	20	121.5100	2.013	28	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,5]){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	122.1920	0.000	1	122.1920	0.000	1	121.4546	2.629	20	121.5100	2.013	28	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	120.7600	0.000	1	120.7600	0.000	1	121.4546	2.629	20	121.5100	2.013	28	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CH3){2|C<3>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	122.9830	0.000	1	122.9830	0.000	1	121.4546	2.629	20	121.5100	2.013	28	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]O[6a]C)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]O[6a]C)(CH3){1|C<3>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	122.7290	0.000	1	122.7290	0.000	1	121.4546	2.629	20	121.5100	2.013	28	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(S[5]C[5,5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(S[5]C[5,5]){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	121.7560	0.382	2	121.7560	0.146	2	121.6067	0.140	3	121.5100	2.013	28	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(S[5]C[5,6])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(S[5]C[5,6]){2|C<3>,2|C<4>,3|H<1>}	121.3080	0.000	1	121.3080	0.000	1	121.6067	0.140	3	121.5100	2.013	28	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(Se[5]N[5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(Se[5]N[5]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.6100	0.000	1	121.6100	0.000	1	121.6100	0.000	1	121.5100	2.013	28	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	N[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]N[5,6a]O[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	C[6a](C[5,6a]N[5,6a]O[5])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|N<2>,2|C<3>,2|H<1>}	120.1290	0.000	1	120.1290	0.000	1	120.1290	0.000	1	121.5100	2.013	28	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(CH3)	C(C[6a]C[5,6a]2)(H)3	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(CH3){1|N<3>,1|O<1>,5|C<3>}	C(C[6a]C[5,6a]2)(H)3	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C){2|C<4>,5|C<3>}	124.6625	0.315	2	124.6625	0.099	2	124.6625	0.099	2	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(CH3)	C(C[6a]C[5,6a]2)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(CH3){1|N<3>,1|O<1>,5|C<3>}	C(C[6a]C[5,6a]2)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>}	120.5550	0.239	2	120.5550	0.057	2	120.5760	0.030	3	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])2(CH3)	C(C[6a]C[5,6a]2)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])2(CH3){1|Si<4>,1|C<4>,2|H<1>,4|C<3>}	C(C[6a]C[5,6a]2)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]C[5]H){1|Si<4>,1|C<3>,1|H<1>,3|C<4>}	120.6180	0.000	1	120.6180	0.000	1	120.5760	0.030	3	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6,6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6,6a]C[6,6a]O[6])(CH3)	C(C[6a]C[5,6a]C[6,6a])(H)3	C[5,6a](C[5,6a]C[6a]O[5])(N[5,5]C[5,5]C[5])(C[6a]C[6,6a]C)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6,6a]C[6,6a]O[6])(CH3){1|O<2>,2|C<3>,3|C<4>}	C(C[6a]C[5,6a]C[6,6a])(H)3	C[5,6a](C[5,6a]C[6a]O[5])(N[5,5]C[5,5]C[5])(C[6a]C[6,6a]C){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	123.2670	0.000	1	123.2670	0.000	1	123.2670	0.000	1	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5,6a,6a]C[6a])(CH3)	C(C[6a]C[6a,6a]C[5,6a])(H)3	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5,6a,6a]C[6a])(CH3){1|H<1>,6|C<3>}	C(C[6a]C[6a,6a]C[5,6a])(H)3	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,6|C<3>}	121.5870	0.000	1	121.5870	0.000	1	121.0790	0.516	2	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a,6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(CH3)	C(C[6a]C[6a,6a]C[5,6a])(H)3	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(CH3){1|H<1>,6|C<3>}	C(C[6a]C[6a,6a]C[5,6a])(H)3	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,6|C<3>}	120.5710	0.000	1	120.5710	0.000	1	121.0790	0.516	2	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CF3)	C(C[6a]C[5,6a]C[6a])(F)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CF3){1|C<4>,2|C<3>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(F)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	120.6530	0.000	1	120.6530	0.000	1	120.6105	0.004	2	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:F-1:F-1:F-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CF3)	C(C[6a]C[5,6a]C[6a])(F)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CF3){2|H<1>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(F)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	120.5680	0.000	1	120.5680	0.000	1	120.6105	0.004	2	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]C){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	122.4020	0.000	1	122.4020	0.000	1	122.4020	0.000	1	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]O)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[5]C[5,6,6]O)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[5]C[5,6,6]O)(C[6a]C[6a]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	123.2300	0.330	3	123.2300	0.109	3	123.2300	0.109	3	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a,6a]-3:C[5,6,6]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6,6])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a,6a]C[5,6,6])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[6a]C[6a]C){1|H<1>,3|C<3>,4|C<4>}	127.8655	1.104	2	127.8655	1.218	2	127.8655	1.218	2	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]C)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]C)(CH3){1|H<1>,4|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){2|C<4>,5|C<3>}	123.6610	0.000	1	123.6610	0.000	1	126.3568	0.922	32	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3){1|C<4>,4|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,5|C<3>}	127.4122	0.552	5	126.4437	0.703	31	126.3568	0.922	32	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,5|C<3>}	126.4026	0.684	18	126.4437	0.703	31	126.3568	0.922	32	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	126.2455	0.144	2	126.4437	0.703	31	126.3568	0.922	32	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,5|C<3>}	126.1778	0.525	5	126.4437	0.703	31	126.3568	0.922	32	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){2|H<1>,5|C<3>}	124.0680	0.000	1	126.4437	0.703	31	126.3568	0.922	32	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]C)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]C[5]2)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]C)(CH3){5|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]C[5]2){1|C<4>,1|O<1>,5|C<3>}	122.1530	0.007	2	122.1530	0.000	2	121.0844	0.592	8	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]C)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]C)(CH3){1|O<1>,4|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]C[5]O){1|C<4>,1|O<1>,3|C<3>}	120.4733	0.286	4	120.7282	0.220	6	121.0844	0.592	8	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]C)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]C)(CH3){1|O<1>,4|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]C[5]O){1|C<4>,4|C<3>}	121.2380	0.272	2	120.7282	0.220	6	121.0844	0.592	8	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]B[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(CH3){1|B<4>,2|C<3>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]B[5])(C[6a]C[6a]C){4|C<3>,5|H<1>}	122.6590	0.000	1	122.6590	0.000	1	122.0765	0.679	2	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]C[5])(C[6a]C[6a]C){4|C<3>,5|H<1>}	121.4940	0.000	1	121.4940	0.000	1	122.0765	0.679	2	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(CH3){1|C<4>,4|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]C){4|C<3>,4|H<1>}	122.3490	0.195	2	122.3490	0.038	2	122.5495	4.425	33	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(CH3){7|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){2|C<4>,5|C<3>}	122.6223	0.703	4	122.6223	0.495	4	122.5495	4.425	33	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(CH3){1|C<2>,4|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|C<2>,2|C<4>,4|C<3>}	124.1480	0.273	2	121.4288	1.965	13	122.5495	4.425	33	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(CH3){1|C<4>,4|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){3|C<4>,4|C<3>}	120.8426	0.401	8	121.4288	1.965	13	122.5495	4.425	33	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(CH3){1|H<1>,4|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){3|C<4>,4|C<3>}	122.0265	0.595	2	121.4288	1.965	13	122.5495	4.425	33	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(CH3){1|S<6>,4|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){3|C<4>,4|C<3>}	119.4840	0.000	1	121.4288	1.965	13	122.5495	4.425	33	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(CH3){2|C<4>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|Sn<4>,3|C<3>,4|C<4>}	121.4400	0.049	2	121.4400	0.002	2	122.5495	4.425	33	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3){1|C<4>,4|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	126.3740	0.024	2	126.0403	0.159	4	122.5495	4.425	33	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|C<4>,2|H<1>,4|C<3>}	125.8330	0.000	1	126.0403	0.159	4	122.5495	4.425	33	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	125.5800	0.000	1	126.0403	0.159	4	122.5495	4.425	33	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C){1|C<4>,2|H<1>,5|C<3>}	122.9740	0.000	1	122.9740	0.000	1	122.5495	4.425	33	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3){1|C<4>,4|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|O<1>,3|C<3>,3|H<1>}	123.3830	0.000	1	123.3830	0.000	1	122.5495	4.425	33	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){3|H<1>,5|C<3>}	124.0740	0.000	1	124.5260	0.168	3	122.5495	4.425	33	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){2|H<1>,5|C<3>}	124.6290	0.000	1	124.5260	0.168	3	122.5495	4.425	33	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){4|C<3>,4|H<1>}	124.8750	0.000	1	124.5260	0.168	3	122.5495	4.425	33	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]N[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]N[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|O<2>,2|H<1>,4|C<3>}	122.8030	0.000	1	122.8030	0.000	1	122.5495	4.425	33	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	123.8490	0.000	1	123.8490	0.000	1	122.5495	4.425	33	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]S)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]S)(CH3){1|C<4>,4|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|S<6>,2|C<4>,4|C<3>}	116.7450	0.000	1	116.7450	0.000	1	122.5495	4.425	33	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]C){1|C<3>,3|C<4>,3|H<1>}	121.0985	0.118	2	121.0985	0.014	2	122.1343	2.428	9	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]C){1|O<2>,2|C<3>,2|C<4>}	120.8290	0.000	1	120.8290	0.000	1	122.1343	2.428	9	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]C){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	121.4500	0.000	1	121.4500	0.000	1	122.1343	2.428	9	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|O<1>,3|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]C){1|C<4>,2|C<3>,4|H<1>}	122.0890	0.000	1	122.0890	0.000	1	122.1343	2.428	9	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]C){2|C<4>,3|C<3>,3|H<1>}	125.4040	0.000	1	124.7150	0.949	2	122.1343	2.428	9	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]C){1|Ru<5>,3|C<3>,3|H<1>}	124.0260	0.000	1	124.7150	0.949	2	122.1343	2.428	9	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]C){1|C<3>,1|H<1>,3|C<4>}	121.2450	0.000	1	121.6070	0.262	2	122.1343	2.428	9	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	121.9690	0.000	1	121.6070	0.262	2	122.1343	2.428	9	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){2|C<3>,3|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]C){1|Al<5>,1|Si<5>,1|C<3>,3|C<4>}	121.0610	0.102	2	121.3728	0.145	5	122.4077	1.499	35	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){2|C<3>,3|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]C){1|Si<4>,1|C<3>,1|H<1>,3|C<4>}	121.5807	0.349	3	121.3728	0.145	5	122.4077	1.499	35	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	119.8430	0.000	1	119.8430	0.000	1	122.4077	1.499	35	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){1|C<3>,1|O<1>,3|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]O){2|C<3>,2|H<1>,3|C<4>}	121.3210	0.000	1	121.3210	0.000	1	122.4077	1.499	35	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){1|N<3>,1|O<1>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O){1|O<1>,4|C<3>}	121.7617	0.705	3	121.7617	0.497	3	122.4077	1.499	35	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	121.0020	0.000	1	121.0020	0.000	1	122.4077	1.499	35	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2){2|C<3>,3|C<4>,4|H<1>}	124.0932	0.244	5	124.0932	0.060	5	122.4077	1.499	35	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]H){1|C<3>,2|H<1>,3|C<4>}	121.8790	0.279	2	121.2407	1.261	3	122.4077	1.499	35	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	119.9640	0.000	1	121.2407	1.261	3	122.4077	1.499	35	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]O){1|C<3>,1|C<4>,5|H<1>}	122.1560	0.677	2	122.1560	0.459	2	122.4077	1.499	35	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]P)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]P){1|C<3>,1|C<4>,4|H<1>}	123.5520	0.000	1	123.5060	0.004	2	122.4077	1.499	35	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]P)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|H<1>,1|P<4>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]P){1|C<3>,1|C<4>,3|H<1>}	123.4600	0.000	1	123.5060	0.004	2	122.4077	1.499	35	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O){1|C<3>,1|S<4>,4|H<1>}	122.1380	0.000	1	122.4590	0.206	2	122.4077	1.499	35	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O){2|C<3>,4|H<1>}	122.7800	0.000	1	122.4590	0.206	2	122.4077	1.499	35	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]O){1|C<3>,1|C<4>,3|H<1>}	124.0320	0.000	1	124.0615	0.002	2	122.4077	1.499	35	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]O){1|C<3>,1|O<1>,2|H<1>}	124.0910	0.000	1	124.0615	0.002	2	122.4077	1.499	35	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,2|N<2>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]N){1|C<3>,1|N<3>,2|H<1>}	121.8630	0.000	1	122.2923	0.139	3	122.4077	1.499	35	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]N){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	122.5070	0.045	2	122.2923	0.139	3	122.4077	1.499	35	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(C[5]C[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|Cl<1>,1|O<1>,1|S<2>,2|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(C[5]C[5]O){2|C<3>,2|H<1>}	122.2875	0.429	2	122.2875	0.184	2	122.4077	1.499	35	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	123.1155	0.274	2	123.1155	0.075	2	122.4077	1.499	35	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3){1|O<2>,2|C<3>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	123.7170	0.000	1	123.7170	0.000	1	122.4077	1.499	35	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(I[5]O[5]O)	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|O<2>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(I[5]O[5]O){1|C<3>,1|N<3>,2|H<1>}	129.2160	0.000	1	129.2160	0.000	1	129.2160	0.000	1	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5,5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|N<3>,1|S<4>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5,5]S){1|C<4>,2|C<3>,4|H<1>}	124.9510	0.000	1	124.9510	0.000	1	123.4605	1.985	50	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	122.4250	0.016	2	122.4250	0.000	2	123.4605	1.985	50	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[5]C[5,6]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[5]C[5,6]C){1|C<3>,2|C<4>,4|H<1>}	123.9405	0.062	2	123.9405	0.004	2	123.4605	1.985	50	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	125.4440	0.110	4	125.4440	0.012	4	123.4605	1.985	50	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|Br<1>,2|C<3>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	125.2380	0.000	1	124.5021	0.764	17	123.4605	1.985	50	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,3|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<3>,6|H<1>}	123.9530	0.000	1	124.5021	0.764	17	123.4605	1.985	50	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	125.7265	0.100	2	124.5021	0.764	17	123.4605	1.985	50	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<3>,1|C<4>,5|H<1>}	124.0677	0.709	10	124.5021	0.764	17	123.4605	1.985	50	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	125.3760	0.000	1	124.5021	0.764	17	123.4605	1.985	50	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|O<1>,2|C<3>,3|H<1>}	125.5710	0.000	1	124.5021	0.764	17	123.4605	1.985	50	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|Pd<4>,2|H<1>,4|C<3>}	124.2680	0.000	1	124.5021	0.764	17	123.4605	1.985	50	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	121.9310	0.332	4	121.9527	0.092	7	123.4605	1.985	50	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	122.3450	0.000	1	121.9527	0.092	7	123.4605	1.985	50	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	121.7070	0.000	1	121.9527	0.092	7	123.4605	1.985	50	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	121.8930	0.000	1	121.9527	0.092	7	123.4605	1.985	50	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]N[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]N[5]H){1|B<4>,1|C<3>,3|H<1>}	121.5200	0.000	1	121.5200	0.000	1	123.4605	1.985	50	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(N[5]C[5]Al)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|Al<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(N[5]C[5]Al){2|C<3>,2|H<1>}	123.8855	0.193	2	123.8855	0.037	2	123.4605	1.985	50	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(N[5]C[5]Mg)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|Mg<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(N[5]C[5]Mg){2|C<3>,2|H<1>}	122.1184	0.447	12	122.1184	0.199	12	123.4605	1.985	50	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(N[5]C[5]Al)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|Al<4>,1|H<1>,1|S<2>,2|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(N[5]C[5]Al){1|C<3>,1|N<2>,2|H<1>}	124.3250	0.249	2	124.3250	0.062	2	123.4605	1.985	50	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]C){1|C<3>,2|C<6>,4|H<1>}	125.4580	0.000	1	125.4580	0.000	1	124.2523	1.095	3	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C){1|C<3>,1|C<4>,2|N<2>,5|H<1>}	123.6495	0.101	2	123.6495	0.010	2	124.2523	1.095	3	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	121.1000	0.178	2	121.1000	0.032	2	121.1000	0.032	2	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:S[5]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]Ru)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CH3){1|Ru<8>,1|H<1>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]Ru)(C[6a]C[6a]C){2|H<1>,3|C<3>}	122.7386	0.870	9	122.7386	0.756	9	122.7386	0.756	9	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	N[3,5]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[3,5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](N[3,5]Si[3,5]C[3,5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]N[3,5])(C[6a]C[6a]H)(CH3){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](N[3,5]Si[3,5]C[3,5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|Si<4>,1|C<3>,2|C<4>,4|H<1>}	121.5965	0.844	2	121.5965	0.712	2	121.5965	0.712	2	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](N[5,6]C[5,6]Ga[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(CH3){1|Ga<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](N[5,6]C[5,6]Ga[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	123.9445	0.299	2	123.9445	0.089	2	123.9445	0.089	2	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	N[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]O)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](N[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]S)(C[6a]C[6a]C)	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]O)(CH3){1|C<4>,1|N<3>,1|S<1>,2|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](N[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]S)(C[6a]C[6a]C){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	124.9950	0.000	1	124.9950	0.000	1	124.9950	0.000	1	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6a]-3:N[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(CH3)	C(C[6a]C[5,6a]N[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|O<2>,2|O<1>}	C(C[6a]C[5,6a]N[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	123.3900	0.000	1	123.3900	0.000	1	123.3900	0.000	1	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(CH3)	C(C[6a]C[5a,6a]C[5,6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]C)(C[5]C[5]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(CH3){1|C<2>,6|C<3>}	C(C[6a]C[5a,6a]C[5,6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]C)(C[5]C[5]C){2|C<4>,3|C<3>}	120.0410	0.000	1	120.0410	0.000	1	120.0410	0.000	1	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[5,6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(CH3)	C(C[6a]C[6a,6a]C[5,6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C)(C[5]O[5]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C(C[6a]C[6a,6a]C[5,6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C)(C[5]O[5]O){2|H<1>,3|C<3>}	122.9000	0.000	1	122.9000	0.000	1	122.9000	0.000	1	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a,6a]-3:C[5,6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[5,6a]N[5,6a]C[5])(CH3)	C(C[6a]N[5a,6a]C[5,6a])(H)3	C[5,6a](N[5,6a]C[6a]B[5])(C[6a]N[5a,6a]C)(C[5]C[6a]C[5])	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[5,6a]N[5,6a]C[5])(CH3){1|B<3>,6|C<3>}	C(C[6a]N[5a,6a]C[5,6a])(H)3	C[5,6a](N[5,6a]C[6a]B[5])(C[6a]N[5a,6a]C)(C[5]C[6a]C[5]){1|B<3>,1|C<4>,5|C<3>}	124.2920	0.000	1	124.2920	0.000	1	124.2920	0.000	1	123.3393	4.419	209	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(CH3)	C(C[6a]C[5,6a]2)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]C[5]SiH)	C[6a](C[5,6a]C[5,6a]C[5])2(CH3){1|Si<4>,1|C<4>,2|H<1>,4|C<3>}	C(C[6a]C[5,6a]2)(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]C[5]SiH){1|H<1>,2|C<3>,2|C<4>}	123.3190	0.000	1	123.3190	0.000	1	123.3190	0.000	1	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,5a,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,5a,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,5a,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]C)(C[5]C[5]HH){1|N<3>,2|H<1>,3|C<3>}	121.4620	0.000	1	121.4620	0.000	1	121.4620	0.000	1	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(CH3){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	119.5700	0.000	1	119.5700	0.000	1	121.5580	3.084	84	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(C[5]O[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(CH3){1|C<2>,1|O<2>,2|C<3>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(C[5]O[5]CC){1|C<3>,1|O<1>,2|C<4>}	121.9570	0.000	1	121.9570	0.000	1	121.5580	3.084	84	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C[6a])(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C[6a])(CH3){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH){1|S<4>,2|H<1>,3|C<3>}	119.3710	0.506	2	119.3710	0.256	2	121.5580	3.084	84	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(CH3){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){2|C<3>,5|H<1>}	120.3240	0.000	1	120.3240	0.000	1	121.5580	3.084	84	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	120.2980	0.000	1	120.2980	0.000	1	121.5580	3.084	84	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]N[5a,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]H)(CH3){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]N[5a,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	119.5600	0.000	1	119.5600	0.000	1	121.5580	3.084	84	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(CH3){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	119.6115	0.491	2	119.6115	0.242	2	121.5580	3.084	84	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(CH3){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH){1|S<4>,2|H<1>,3|C<3>}	120.3220	0.000	1	120.3220	0.000	1	121.5580	3.084	84	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){1|C<3>,1|P<4>,2|C<4>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	120.0040	0.000	1	119.2483	1.148	3	121.5580	3.084	84	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){1|C<3>,2|H<1>,3|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	118.8705	1.200	2	119.2483	1.148	3	121.5580	3.084	84	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	120.5275	1.271	2	120.5275	1.615	2	121.5580	3.084	84	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH){2|H<1>,3|C<3>}	119.9985	0.885	2	119.9985	0.783	2	121.5580	3.084	84	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<4>,2|H<1>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2H){2|C<4>,3|C<3>,3|H<1>}	122.4330	0.198	2	122.4330	0.039	2	121.5580	3.084	84	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,4|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	123.8690	0.000	1	123.4490	0.825	10	121.5580	3.084	84	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,4|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<4>,2|C<3>,4|H<1>}	123.3590	0.000	1	123.4490	0.825	10	121.5580	3.084	84	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,3|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	122.9045	0.540	2	123.4490	0.825	10	121.5580	3.084	84	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	123.6810	0.637	3	123.4490	0.825	10	121.5580	3.084	84	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<3>,3|H<1>}	123.4700	1.641	3	123.4490	0.825	10	121.5580	3.084	84	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,2|C<5>,3|H<1>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|Ru<5>,3|Ru<6>,1|C<3>,1|C<4>,1|H<1>}	121.8640	0.000	1	121.3631	0.126	14	121.5580	3.084	84	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	121.2320	0.427	2	121.3631	0.126	14	121.5580	3.084	84	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	121.1385	0.086	2	121.3631	0.126	14	121.5580	3.084	84	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	121.5415	0.291	6	121.3631	0.126	14	121.5580	3.084	84	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){3|C<3>,3|H<1>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	120.7760	0.000	1	121.3631	0.126	14	121.5580	3.084	84	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){3|C<3>,3|H<1>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	121.0470	0.000	1	121.3631	0.126	14	121.5580	3.084	84	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){3|C<3>,3|H<1>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|H<1>,2|C<3>,2|C<4>}	121.4070	0.000	1	121.3631	0.126	14	121.5580	3.084	84	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HP)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|P<4>,2|C<4>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HP){1|Ru<5>,1|Ru<7>,1|C<3>,1|H<1>,2|C<4>}	123.1060	0.000	1	123.1060	0.000	1	121.5580	3.084	84	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HS)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HS){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	122.6790	0.000	1	122.6790	0.000	1	121.5580	3.084	84	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	121.8830	1.172	2	121.8830	1.374	2	121.5580	3.084	84	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|C<4>,5|H<1>}	119.9340	0.000	1	121.8618	0.470	16	121.5580	3.084	84	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){2|C<4>,2|H<1>,2|N<2>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|O<2>,4|H<1>}	121.9438	0.451	14	121.8618	0.470	16	121.5580	3.084	84	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){2|C<4>,2|H<1>,2|N<2>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,5|H<1>}	122.6410	0.000	1	121.8618	0.470	16	121.5580	3.084	84	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(CH3){1|Si<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH){1|C<3>,1|C<4>,1|N<3>,1|S<4>,2|H<1>}	119.3530	0.471	2	119.3530	0.222	2	121.5580	3.084	84	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6])(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6])(CH3){2|H<1>,3|C<3>,3|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	120.4265	0.996	2	120.4265	0.993	2	121.5580	3.084	84	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])(CH3){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|N<2>,2|H<1>,4|C<3>}	121.0260	0.000	1	120.4100	0.759	2	121.5580	3.084	84	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])(CH3){2|C<4>,2|H<1>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|N<2>,2|H<1>,4|C<3>}	119.7940	0.000	1	120.4100	0.759	2	121.5580	3.084	84	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]CC){1|C<3>,1|O<1>,2|O<2>}	125.0875	0.305	2	125.0875	0.093	2	121.5580	3.084	84	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH){1|C<3>,1|O<1>,2|O<2>}	122.0200	0.000	1	122.3583	0.088	3	121.5580	3.084	84	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3){1|O<2>,2|C<3>,3|H<1>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH){1|C<3>,1|O<1>,2|O<2>}	122.5740	0.000	1	122.3583	0.088	3	121.5580	3.084	84	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3){2|C<3>,2|H<1>,2|O<2>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH){1|C<3>,1|O<1>,2|O<2>}	122.4810	0.000	1	122.3583	0.088	3	121.5580	3.084	84	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3){1|H<1>,2|C<3>,3|O<2>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HO){1|C<3>,1|O<1>,2|O<2>}	123.1920	0.000	1	123.1920	0.000	1	121.5580	3.084	84	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3){1|C<4>,2|O<2>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC){1|C<3>,1|O<1>,2|O<2>}	123.2940	0.000	1	123.2940	0.000	1	121.5580	3.084	84	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]P)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]P)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<4>,1|P<4>,2|H<1>,3|C<3>}	119.0540	0.000	1	119.0540	0.000	1	121.5580	3.084	84	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Si)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Si)(CH3){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH){1|Si<4>,1|C<3>,1|C<4>,1|S<4>,2|H<1>}	117.2210	0.737	2	117.2210	0.543	2	121.5580	3.084	84	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]C)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]C)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	120.1900	0.000	1	120.1900	0.000	1	121.5580	3.084	84	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]N[6])(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]N[6])(CH3){1|C<3>,2|H<1>,4|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|Br<1>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	120.8170	0.000	1	120.8170	0.000	1	121.5580	3.084	84	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	125.3215	0.408	2	125.3215	0.166	2	121.5580	3.084	84	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH){1|C<4>,1|N<3>,2|O<1>}	125.0420	0.000	1	125.0420	0.000	1	121.5580	3.084	84	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(P[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(P[5]N[5]OO){1|C<3>,1|O<1>,3|H<1>}	121.9305	0.043	2	121.9305	0.002	2	121.9305	0.002	2	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:N[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]2)(CH3)	C(C[6a]C[5,6a]N[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]2)(CH3){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C(C[6a]C[5,6a]N[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	123.8420	0.397	2	123.8420	0.158	2	123.0997	1.732	3	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[5,6a]-3:N[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(CH3)	C(C[6a]C[5,6a]N[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[6a]C[5,6a]N[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	121.6150	0.000	1	121.6150	0.000	1	123.0997	1.732	3	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a,6a]C[5])(CH3)	C(C[6a]C[6a,6a]C[5,6a])(H)3	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a,6a]C)(C[5]C[5,6a]HH)	C[6a](C[6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a,6a]C[5])(CH3){2|H<1>,6|C<3>}	C(C[6a]C[6a,6a]C[5,6a])(H)3	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a,6a]C)(C[5]C[5,6a]HH){5|C<3>}	118.2120	0.520	2	118.2120	0.271	2	118.2120	0.271	2	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(CH3)	C(C[6a]C[6a,6a]C[5,6a])(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)(C[5]C[5,6a]CH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(CH3){1|C<4>,2|H<1>,5|C<3>}	C(C[6a]C[6a,6a]C[5,6a])(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)(C[5]C[5,6a]CH){1|H<1>,4|C<3>}	122.1140	0.000	1	122.1140	0.000	1	121.5695	0.593	2	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(CH3)	C(C[6a]C[6a,6a]C[5,6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C)(C[5]C[5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(CH3){2|C<4>,3|C<3>,3|H<1>}	C(C[6a]C[6a,6a]C[5,6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C)(C[5]C[5]HH){1|Cl<1>,2|H<1>,4|C<3>}	121.0250	0.000	1	121.0250	0.000	1	121.5695	0.593	2	121.5619	3.119	95	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6,6a]-3:C[5,5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]C[5,5])(C[6a]C[6a]O)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[5,5]C[5,5,6,6]O[5]H)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6,6a]C[5,5])(C[6a]C[6a]O)(CH3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[5,5]C[5,5,6,6]O[5]H)(C[6a]C[6a]C){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	122.6920	0.000	1	122.6920	0.000	1	122.6920	0.000	1	122.0391	1.840	49	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]O)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]O)(CH3){1|C<3>,2|C<4>,3|H<1>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]C){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	122.2220	0.000	1	122.7790	0.620	2	122.7790	0.620	2	122.0391	1.840	49	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]O)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]O)(CH3){1|C<3>,2|C<4>,3|H<1>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	123.3360	0.000	1	122.7790	0.620	2	122.7790	0.620	2	122.0391	1.840	49	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,3|O<2>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]C){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	123.0720	0.000	1	123.0720	0.000	1	122.8140	0.133	2	122.0391	1.840	49	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>,2|O<2>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]C){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	122.5560	0.000	1	122.5560	0.000	1	122.8140	0.133	2	122.0391	1.840	49	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]C){1|C<3>,2|H<1>,4|C<4>}	118.7080	0.000	1	118.7080	0.000	1	121.8325	1.851	39	122.0391	1.840	49	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SnC)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){1|Sn<4>,2|C<4>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SnC)(C[6a]C[6a]C){2|C<4>,3|C<3>}	122.0135	0.111	2	122.0135	0.012	2	121.8325	1.851	39	122.0391	1.840	49	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]AlSi)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){1|Al<5>,1|Si<5>,1|C<4>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]AlSi)(C[6a]C[6a]C){1|C<3>,4|C<4>}	122.4130	0.064	2	122.4130	0.004	2	121.8325	1.851	39	122.0391	1.840	49	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]SiH)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){1|Si<4>,1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]SiH)(C[6a]C[6a]C){1|C<3>,4|C<4>}	120.9427	0.330	3	120.9427	0.109	3	121.8325	1.851	39	122.0391	1.840	49	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){1|C<4>,1|H<1>,4|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){1|H<1>,3|C<3>,3|C<4>}	120.5860	0.000	1	120.7146	0.522	5	121.8325	1.851	39	122.0391	1.840	49	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){1|H<1>,2|C<4>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	119.7280	0.000	1	120.7146	0.522	5	121.8325	1.851	39	122.0391	1.840	49	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){1|Br<1>,2|H<1>,3|C<3>,3|C<4>}	120.4180	0.000	1	120.7146	0.522	5	121.8325	1.851	39	122.0391	1.840	49	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){2|H<1>,3|C<4>,4|C<3>}	121.3390	0.000	1	120.7146	0.522	5	121.8325	1.851	39	122.0391	1.840	49	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){3|C<3>,3|C<4>,3|H<1>}	121.5020	0.000	1	120.7146	0.522	5	121.8325	1.851	39	122.0391	1.840	49	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]C){2|C<4>,3|C<3>}	118.1280	0.000	1	118.1280	0.000	1	121.8325	1.851	39	122.0391	1.840	49	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(CH3){1|Br<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	121.1610	0.000	1	121.1610	0.000	1	121.8325	1.851	39	122.0391	1.840	49	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]C){3|C<3>,4|H<1>}	121.9290	0.000	1	121.9290	0.000	1	121.8325	1.851	39	122.0391	1.840	49	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,5,6]CH)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,5,6]CH)(C[6a]C[6a]C){1|C<3>,3|C<4>,3|H<1>}	123.7190	0.000	1	123.7190	0.000	1	121.8325	1.851	39	122.0391	1.840	49	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|O<2>,5|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|H<1>,7|C<3>}	123.2040	0.000	1	123.2040	0.000	1	121.8325	1.851	39	122.0391	1.840	49	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<4>,2|H<1>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]C){2|H<1>,3|C<3>}	121.8860	0.000	1	121.8860	0.000	1	121.8325	1.851	39	122.0391	1.840	49	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]C){1|O<1>,1|S<3>,2|C<3>,2|H<1>}	120.9190	0.000	1	120.9190	0.000	1	121.8325	1.851	39	122.0391	1.840	49	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]MoH)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|Mo<10>,1|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]MoH)(C[6a]C[6a]C){1|C<3>,1|C<4>,3|H<1>}	121.5018	0.184	4	121.9733	0.451	14	121.8325	1.851	39	122.0391	1.840	49	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]MoH)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|Mo<8>,1|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]MoH)(C[6a]C[6a]C){1|C<3>,1|C<4>,3|H<1>}	122.1619	0.708	10	121.9733	0.451	14	121.8325	1.851	39	122.0391	1.840	49	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5]C)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5]C)(C[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	123.2760	0.000	1	123.2760	0.000	1	121.8325	1.851	39	122.0391	1.840	49	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RuC)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|Ru<7>,1|C<3>,1|H<1>,3|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RuC)(C[6a]C[6a]C){1|Ru<5>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	124.1660	0.000	1	124.1660	0.000	1	121.8325	1.851	39	122.0391	1.840	49	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){2|C<3>,4|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]C){1|C<4>,4|C<3>,4|H<1>}	124.5290	0.000	1	124.5135	0.000	2	121.8325	1.851	39	122.0391	1.840	49	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){2|C<3>,4|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]C){4|C<3>,5|H<1>}	124.4980	0.000	1	124.5135	0.000	2	121.8325	1.851	39	122.0391	1.840	49	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,3|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){1|C<4>,4|C<3>,4|H<1>}	122.4660	0.000	1	122.4660	0.000	1	121.8325	1.851	39	122.0391	1.840	49	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]FeC)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CH3){1|Fe<5>,2|C<4>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]FeC)(C[6a]C[6a]C){2|H<1>,3|C<3>}	122.9520	0.000	1	122.9520	0.000	1	123.7017	0.718	3	122.0391	1.840	49	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]RuC)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CH3){1|Ru<9>,2|C<4>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]RuC)(C[6a]C[6a]C){2|H<1>,3|C<3>}	124.6210	0.000	1	124.6210	0.000	1	123.7017	0.718	3	122.0391	1.840	49	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]2C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CH3){2|C<4>,4|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]2C[5])(C[6a]C[6a]C){1|C<4>,2|H<1>,7|C<3>}	123.5320	0.000	1	123.5320	0.000	1	123.7017	0.718	3	122.0391	1.840	49	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]Pd2)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CH3){2|Pd<5>,1|H<1>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]Pd2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	122.9450	0.000	1	122.9450	0.000	1	122.9450	0.000	1	122.0391	1.840	49	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:4:3:	C[6a,6a]-3:C[5,6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(CH3)	C(C[6a]C[6a,6a]C[5,6a])(H)3	C[5,6a](C[5,6a]C[5x3,6x5,20x6]N[6a])(C[5]B[5x3,6x5,20x6]HH)(C[6a]C[6a,6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(CH3){1|B<6>,1|C<6>,1|N<2>,2|C<3>,3|H<1>}	C(C[6a]C[6a,6a]C[5,6a])(H)3	C[5,6a](C[5,6a]C[5x3,6x5,20x6]N[6a])(C[5]B[5x3,6x5,20x6]HH)(C[6a]C[6a,6a]C){1|C<6>,2|C<3>,5|B<6>}	120.5210	0.000	1	120.5210	0.000	1	120.5210	0.000	1	122.0391	1.840	49	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	3:5:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-5:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]Ru3)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|Ru<5>,2|Ru<6>,1|C<3>,1|C<4>,1|C<5>,1|H<1>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]Ru3)(C[6a]C[6a]C){1|Ru<6>,1|C<3>,1|C<4>,3|H<1>}	127.2930	0.000	1	127.2930	0.000	1	127.2930	0.000	1	127.2930	0.000	1	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,4|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C){1|C<4>,4|H<1>,5|C<3>}	123.2285	0.169	2	123.2285	0.029	2	122.3350	1.091	4	123.2720	1.028	45	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>,3|C<4>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C){2|C<4>,3|H<1>,5|C<3>}	121.4415	0.228	2	121.4415	0.052	2	122.3350	1.091	4	123.2720	1.028	45	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,5]C[3x5]N[5]N)(C[5,6a]N[6a]S[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CH3){1|N<2>,1|S<2>,2|C<4>,2|N<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,5]C[3x5]N[5]N)(C[5,6a]N[6a]S[5])(C[6a]C[6a]C){1|C<4>,1|H<1>,4|C<3>}	124.5560	0.018	2	124.5560	0.000	2	123.8306	0.646	25	123.2720	1.028	45	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	121.3390	0.000	1	121.3390	0.000	1	123.8306	0.646	25	123.2720	1.028	45	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C){2|C<4>,3|H<1>,4|C<3>}	123.5600	0.600	10	123.8779	0.390	22	123.8306	0.646	25	123.2720	1.028	45	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<4>,4|C<3>}	124.1428	0.531	12	123.8779	0.390	22	123.8306	0.646	25	123.2720	1.028	45	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6]C[5,5,6]C[6,6a]H)(C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6]C[5,5,6]C[6,6a]H)(C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<4>,4|C<3>}	122.8963	0.853	4	122.8963	0.728	4	122.7662	0.465	13	123.2720	1.028	45	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CH3){1|C<4>,5|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|O<1>,2|H<1>,6|C<3>}	121.9660	0.000	1	122.5980	0.799	2	122.7662	0.465	13	123.2720	1.028	45	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CH3){1|H<1>,5|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|C<4>,2|H<1>,6|C<3>}	123.2300	0.000	1	122.5980	0.799	2	122.7662	0.465	13	123.2720	1.028	45	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|N<3>,3|C<3>,5|H<1>}	123.0510	0.710	4	123.0510	0.504	4	122.7662	0.465	13	123.2720	1.028	45	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<4>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]C){2|C<4>,3|H<1>,5|C<3>}	122.5140	0.000	1	122.5140	0.000	1	122.7662	0.465	13	123.2720	1.028	45	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,4|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){3|H<1>,5|C<3>}	122.2310	0.000	2	122.2310	0.000	2	122.7662	0.465	13	123.2720	1.028	45	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	P[5]-4:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](P[5]C[6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CH3){2|C<4>,4|C<3>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](P[5]C[6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,2|H<1>,7|C<3>}	123.1050	0.000	1	123.1050	0.000	1	123.1050	0.000	1	123.2720	1.028	45	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:1:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	Si[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5,5])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](Si[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]Si[5,5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C(C[6a]C[5,6a]C[6a])(H)3	C[5,6a](Si[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){2|H<1>,3|C<3>,3|C<4>}	121.5340	0.421	2	121.5340	0.178	2	121.5340	0.178	2	123.2720	1.028	45	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:2:1:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:Se[5]-2:	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a]H)(CHHO)	C(C[6a]C[5,6a]C[6a])(OH)(H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(Se[5]Se[5])	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a]H)(CHHO){1|Se<2>,1|H<1>,2|C<3>}	C(C[6a]C[5,6a]C[6a])(OH)(H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(Se[5]Se[5]){1|H<1>,3|C<3>}	112.4660	0.000	1	112.4660	0.000	1	112.4660	0.000	1	112.4660	0.000	1	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:2:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(CHHO)	C(C[6a]C[5,6a]C[6a])(OH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(CHHO){1|O<2>,2|H<1>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(OH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH){2|Br<1>,1|C<3>,1|O<1>}	123.2920	0.000	1	123.2920	0.000	1	122.2405	2.211	2	122.2405	2.211	2	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:2:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CHHO)	C(C[6a]C[5,6a]C[6a])(OC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CHHO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(OC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH){1|C<3>,1|O<1>,2|C<4>}	121.1890	0.000	1	121.1890	0.000	1	122.2405	2.211	2	122.2405	2.211	2	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:2:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[5,6a]Si)(CHHO)	C(C[6a]C[5,6a]C[6a])(OC)(H)2	C[5,6a](C[5,6a]C[5,6a]C[3,5])(C[5,5]C[3,5,5]C[5]H)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[5,6a]Si)(CHHO){1|H<1>,2|C<4>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(OC)(H)2	C[5,6a](C[5,6a]C[5,6a]C[3,5])(C[5,5]C[3,5,5]C[5]H)(C[6a]C[6a]C){1|Si<4>,1|H<1>,2|C<4>,4|C<3>}	114.7290	0.000	1	114.7290	0.000	1	117.8015	18.881	2	117.8015	18.881	2	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:2:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[5,6a]Si)(CHHO)	C(C[6a]C[5,6a]C[6a])(OC)(H)2	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[5,6a]Si)(CHHO){1|C<4>,1|H<1>,4|C<3>}	C(C[6a]C[5,6a]C[6a])(OC)(H)2	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]C){1|Si<4>,1|H<1>,1|O<1>,2|C<4>,3|C<3>}	120.8740	0.000	1	120.8740	0.000	1	117.8015	18.881	2	117.8015	18.881	2	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])2(CN[5]HH)	C(C[6a]C[5,6a]2)(N[5]C[5]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])2(CN[5]HH){1|C<3>,4|C<4>}	C(C[6a]C[5,6a]2)(N[5]C[5]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(O[5]C[5]){1|C<3>,1|O<2>,5|H<1>}	123.6700	0.774	2	123.6700	0.598	2	123.6700	0.598	2	121.8339	2.918	10	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]O)(CCHH)	C(C[6a]C[5,6a]C[6a])(CNO)(H)2	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]O)(CCHH){2|C<3>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(CNO)(H)2	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	122.4430	0.000	1	122.4430	0.000	1	122.4430	0.000	1	121.8339	2.918	10	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC[6]HH)	C(C[6a]C[5,6a]C[6a])(C[6]C[6]2)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC[6]HH){1|C<3>,1|S<2>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(C[6]C[6]2)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(O[5]C[5,6]){2|H<1>,3|C<3>}	120.8020	0.000	1	120.8020	0.000	1	120.8020	0.000	1	121.8339	2.918	10	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,3|C<4>}	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,5]){3|C<3>,4|H<1>}	122.5510	0.000	1	122.5510	0.000	1	122.6295	0.012	2	121.8339	2.918	10	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(O[5]C[5,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|S<2>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(O[5]C[5,6]){2|H<1>,3|C<3>}	122.7080	0.000	1	122.7080	0.000	1	122.6295	0.012	2	121.8339	2.918	10	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:N-3:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:Se[5]-2:	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a]H)(CHHN)	C(C[6a]C[5,6a]C[6a])(NCH)(H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(Se[5]Se[5])	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a]H)(CHHN){1|Se<2>,1|H<1>,2|C<3>}	C(C[6a]C[5,6a]C[6a])(NCH)(H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(Se[5]Se[5]){1|H<1>,3|C<3>}	122.9920	0.000	1	122.9920	0.000	1	122.9920	0.000	1	121.8339	2.918	10	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:N-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(CHHN)	C(C[6a]C[5,6a]C[6a])(NCC)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(CHHN){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6a]C[5,6a]C[6a])(NCC)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	119.1515	0.264	2	119.1515	0.070	2	119.1515	0.070	2	121.8339	2.918	10	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:N-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CHHN)	C(C[6a]C[5,6a]C[6a])(NC[6a]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(P[5]N[5])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CHHN){1|H<1>,1|N<3>,2|C<3>}	C(C[6a]C[5,6a]C[6a])(NC[6a]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(P[5]N[5]){2|C<3>,3|H<1>}	121.2000	0.000	1	121.2000	0.000	1	121.2000	0.000	1	121.8339	2.918	10	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH)	C(C[6a]C[5,6a]C[6a])(CCC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(CCC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]S){1|C<3>,6|H<1>}	123.8900	0.000	1	123.8900	0.000	1	123.8900	0.000	1	121.6395	4.539	10	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH)	C(C[6a]C[5,6a]C[6a])(CC[6a]N)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(CC[6a]N)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C){3|C<3>,6|H<1>}	122.3710	0.000	1	122.3710	0.000	1	122.3710	0.000	1	121.6395	4.539	10	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|O<2>,3|C<3>,4|H<1>}	126.1870	0.000	1	126.1870	0.000	1	123.9435	10.067	2	121.6395	4.539	10	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){4|C<3>,4|H<1>}	121.7000	0.000	1	121.7000	0.000	1	123.9435	10.067	2	121.6395	4.539	10	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[5,6a]-3:N[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]C)(CC[6a]HH)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]C)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	122.3730	0.000	1	122.3730	0.000	1	122.3730	0.000	1	121.6395	4.539	10	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:N-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CHHN)	C(C[6a]C[5,6a]C[6a])(NCN)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CHHN){1|H<1>,4|C<3>}	C(C[6a]C[5,6a]C[6a])(NCN)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	119.9748	0.208	5	119.9748	0.043	5	119.9748	0.043	5	121.6395	4.539	10	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]O[6a]O)(CCHH)	C(C[6a]C[5,6a]C[6a])(COO)(H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]C[5]CO)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]O[6a]O)(CCHH){1|O<2>,4|C<3>}	C(C[6a]C[5,6a]C[6a])(COO)(H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]C[5]CO){1|O<2>,2|C<3>,2|O<1>}	126.1270	0.000	1	126.1270	0.000	1	126.1270	0.000	1	126.1270	0.000	1	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHH)	C(C[6a]C[5,6a]C[6a])(CCH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHH){1|N<3>,2|H<1>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(CCH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]C){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	121.8535	0.059	2	121.8535	0.003	2	122.4313	1.003	3	122.4313	1.003	3	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:3:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHH)	C(C[6a]C[5,6a]C[6a])(CCH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHH){1|O<2>,2|H<1>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(CCH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]C){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	123.5870	0.000	1	123.5870	0.000	1	122.4313	1.003	3	122.4313	1.003	3	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:3:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:N-3:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CHHN)	C(C[6a]C[5,6a]C[6a])(NCC)(H)2	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CHHN){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C(C[6a]C[5,6a]C[6a])(NCC)(H)2	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	121.7995	0.558	4	121.7995	0.312	4	121.7995	0.312	4	121.7995	0.312	4	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:3:2:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N[5a])(CC[6a]HO)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N[5a])(CC[6a]HO){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	119.4650	0.000	1	119.4650	0.000	1	119.4650	0.000	1	119.4650	0.000	1	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:3:2:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CC[6a]HO)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CC[6a]HO){1|H<1>,2|C<3>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]C){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	126.7155	0.182	2	126.7155	0.033	2	126.7155	0.033	2	126.7155	0.033	2	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:3:2:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CC[6a]HO)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OC)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]B)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CC[6a]HO){1|B<4>,1|H<1>,4|C<3>}	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OC)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]B)(C[6a]C[6a]C){2|H<1>,5|C<3>}	122.5770	0.941	3	122.5770	0.885	3	122.5770	0.885	3	122.5770	0.885	3	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:3:2:2:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:C-2:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCCO)	C(C[6a]C[5,6a]C[6a])(CCO)(CC)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCCO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(CCO)(CC)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	120.8500	0.000	1	120.8500	0.000	1	120.8500	0.000	1	120.8500	0.000	1	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCCH)	C(C[6a]C[5,6a]C[6a])(CCC)(COO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(CCC)(COO)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<3>,6|H<1>}	120.8520	0.000	1	120.8520	0.000	1	120.8520	0.000	1	122.9397	3.284	3	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CN[5a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC[6a]CH){1|H<1>,2|C<3>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CN[5a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5a]C[5])(C[6a]C[6a]C){1|C<3>,1|N<2>,1|N<3>,6|H<1>}	123.8590	0.000	1	123.8590	0.000	1	123.8590	0.000	1	122.9397	3.284	3	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC[6a]HN)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC[6a]HN){1|H<1>,2|C<3>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(NC[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C){3|C<3>,6|H<1>}	124.1080	0.000	1	124.1080	0.000	1	124.1080	0.000	1	122.9397	3.284	3	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:3:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:N-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHN)	C(C[6a]C[5,6a]C[6a])(CCH)(NCS)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHN){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(CCH)(NCS)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CC){1|C<3>,1|O<1>,3|H<1>}	124.2470	0.000	1	124.2470	0.000	1	124.2470	0.000	1	124.2470	0.000	1	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:3:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:N-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHN)	C(C[6a]C[5,6a]C[6a])(CCH)(NCC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]ClC)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHN){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[5,6a]C[6a])(CCH)(NCC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]ClC)(C[6a]C[6a]C){1|C<3>,1|C<4>,2|H<1>}	123.5690	0.000	1	123.5690	0.000	1	123.5690	0.000	1	123.5690	0.000	1	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:N-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CCHN)	C(C[6a]C[5,6a]C[6a])(CCH)(NCC)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CCHN){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C(C[6a]C[5,6a]C[6a])(CCH)(NCC)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	127.0150	0.000	1	127.0150	0.000	1	126.0705	1.784	2	126.0705	1.784	2	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:3:3:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:N-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CCHN)	C(C[6a]C[5,6a]C[6a])(CCH)(NCS)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CCHN){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C(C[6a]C[5,6a]C[6a])(CCH)(NCS)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	125.1260	0.000	1	125.1260	0.000	1	126.0705	1.784	2	126.0705	1.784	2	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:3:3:2:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a](C[5,6a]C[5,6a]S[5])2(CC[6a]2O)	C(C[6a]C[5,6a]2)3(OH)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]C)(S[5]C[5])	C[6a](C[5,6a]C[5,6a]S[5])2(CC[6a]2O){1|C<3>,2|C<4>,2|S<2>}	C(C[6a]C[5,6a]2)3(OH)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]C)(S[5]C[5]){1|C<3>,1|I<1>,1|S<2>,2|C<4>}	121.0323	4.687	6	121.0323	21.972	6	121.0323	21.972	6	121.0323	21.972	6	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:3:3:2:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC[6a]2O)	C(C[6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC[6a]2O){1|H<1>,4|C<3>}	C(C[6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]C){2|H<1>,5|C<3>}	129.4903	0.138	4	129.4903	0.019	4	129.4903	0.019	4	129.4903	0.019	4	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC[6a]CH)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CHHN)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC[6a]CH){1|H<1>,2|C<3>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CHHN)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C){1|C<3>,2|N<2>,6|H<1>}	123.4720	0.000	1	123.4720	0.000	1	123.4720	0.000	1	123.4720	0.000	1	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CCHH)	C(C[6a]C[5,6a]C[6a])(CCHH)(H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(CCHH){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(CCHH)(H)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]C){1|H<1>,5|C<3>}	123.2170	0.000	1	123.2170	0.000	1	123.2170	0.000	1	121.5263	3.362	33	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCHH)	C(C[6a]C[5,6a]C[6a])(CCHN)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(CCHN)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	124.2430	0.000	1	124.2430	0.000	1	124.7147	1.781	3	121.5263	3.362	33	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCHH)	C(C[6a]C[5,6a]C[6a])(CH3)(H)2	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	C(C[6a]C[5,6a]C[6a])(CH3)(H)2	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	123.6800	0.000	1	123.6800	0.000	1	124.7147	1.781	3	121.5263	3.362	33	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]O)(CCHH)	C(C[6a]C[5,6a]C[6a])(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]O)(CCHH){1|Si<4>,4|C<3>}	C(C[6a]C[5,6a]C[6a])(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]C){1|C<2>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	126.2210	0.000	1	126.2210	0.000	1	124.7147	1.781	3	121.5263	3.362	33	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(CCHH)	C(C[6a]C[5,6a]C[6a])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(CCHH){1|O<1>,4|C<3>}	C(C[6a]C[5,6a]C[6a])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]C[6a]C){1|H<1>,4|C<3>}	122.7326	0.826	5	122.7326	0.682	5	122.7326	0.682	5	121.5263	3.362	33	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(CCHH)	C(C[6a]C[5,6a]C[6a])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(B[5]O[5]O)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(CCHH){1|C<3>,2|C<4>,2|O<2>}	C(C[6a]C[5,6a]C[6a])(CCHH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(B[5]O[5]O){1|C<3>,4|H<1>}	120.9700	0.000	1	120.9700	0.000	1	120.9700	0.000	1	121.5263	3.362	33	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHH)	C(C[6a]C[5,6a]C[6a])(CN[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHH){1|C<4>,1|O<2>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(CN[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|O<2>}	121.2405	0.128	2	121.2405	0.016	2	121.2405	0.016	2	121.5263	3.362	33	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH)	C(C[6a]C[5,6a]C[6a])(CH3)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH){1|C<4>,1|H<1>,1|I<1>,2|C<3>}	C(C[6a]C[5,6a]C[6a])(CH3)(H)2	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	122.2870	0.000	1	122.2870	0.000	1	120.5809	1.010	7	121.5263	3.362	33	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH)	C(C[6a]C[5,6a]C[6a])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,3|C<4>}	C(C[6a]C[5,6a]C[6a])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H){1|C<4>,3|C<3>,3|H<1>}	119.8775	0.695	2	120.2965	0.532	6	120.5809	1.010	7	121.5263	3.362	33	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH)	C(C[6a]C[5,6a]C[6a])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,3|C<4>}	C(C[6a]C[5,6a]C[6a])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H){2|C<3>,2|C<4>,3|H<1>}	119.8630	0.000	1	120.2965	0.532	6	120.5809	1.010	7	121.5263	3.362	33	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH)	C(C[6a]C[5,6a]C[6a])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH){1|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H){1|C<4>,3|C<3>,3|H<1>}	120.3020	0.226	2	120.2965	0.532	6	120.5809	1.010	7	121.5263	3.362	33	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH)	C(C[6a]C[5,6a]C[6a])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH){1|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H){2|C<3>,2|C<4>,3|H<1>}	121.5570	0.000	1	120.2965	0.532	6	120.5809	1.010	7	121.5263	3.362	33	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(CCHH)	C(C[6a]C[5,6a]C[6a])(CC[6a]HH)(H)2	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]H)	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(CCHH){1|N<3>,2|C<3>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(CC[6a]HH)(H)2	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]H){1|Rh<6>,1|C<3>,1|H<1>,2|C<4>}	119.3050	0.297	2	119.3050	0.088	2	119.3050	0.088	2	121.5263	3.362	33	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	N[5,6a]-3:N[5]-3:C[6a]-3:	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a,6a]C)(CCHH)	C(C[6a]C[5,6a]C[6a])(CCHH)(H)2	C[5,6a](N[5,6a]C[6a,6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a,6a]C)(CCHH){5|C<3>}	C(C[6a]C[5,6a]C[6a])(CCHH)(H)2	C[5,6a](N[5,6a]C[6a,6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	120.2470	0.000	1	120.2470	0.000	1	120.2470	0.000	1	121.5263	3.362	33	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CC[6]HH)	C(C[6a]C[5,6a]C[6a])(C[6]C[6]2C)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CC[6]HH){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(C[6]C[6]2C)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	124.0140	0.000	1	124.0140	0.000	1	124.0140	0.000	1	121.5263	3.362	33	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:N-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(CHHN)	C(C[6a]C[5,6a]C[6a])(NCCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]C[5]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(CHHN){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6a]C[5,6a]C[6a])(NCCH)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|S<1>,2|H<1>}	121.2340	0.000	1	121.2340	0.000	1	121.2340	0.000	1	121.5263	3.362	33	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:H-1:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CHHP)	C(C[6a]C[5,6a]C[6a])(PC[6a]2Zr)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,6]Zr)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CHHP){1|Zr<12>,2|C<3>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(PC[6a]2Zr)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,6]Zr)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	123.0080	0.000	1	121.6437	4.605	4	121.7736	3.538	5	121.5263	3.362	33	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:H-1:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CHHP)	C(C[6a]C[5,6a]C[6a])(PC[6a]2Zr)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,6]Zr)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CHHP){1|Zr<8>,2|C<3>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(PC[6a]2Zr)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,6]Zr)(C[6a]C[6a]C){2|H<1>,3|C<3>}	120.7260	0.000	1	121.6437	4.605	4	121.7736	3.538	5	121.5263	3.362	33	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:H-1:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CHHP)	C(C[6a]C[5,6a]C[6a])(PC[6a]2Zr)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,6]Zr)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CHHP){1|Zr<9>,2|C<3>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(PC[6a]2Zr)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,6]Zr)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	123.7670	0.000	1	121.6437	4.605	4	121.7736	3.538	5	121.5263	3.362	33	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:H-1:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CHHP)	C(C[6a]C[5,6a]C[6a])(PC[6a]2Zr)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,6]Zr)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CHHP){1|Zr<9>,2|C<3>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(PC[6a]2Zr)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,6]Zr)(C[6a]C[6a]C){2|H<1>,3|C<3>}	119.0740	0.000	1	121.6437	4.605	4	121.7736	3.538	5	121.5263	3.362	33	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:H-1:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CHHP)	C(C[6a]C[5,6a]C[6a])(PZrCC)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,6]Zr)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CHHP){1|Zr<9>,2|C<3>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(PZrCC)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,6]Zr)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	122.2930	0.000	1	122.2930	0.000	1	121.7736	3.538	5	121.5263	3.362	33	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:H-1:H-1:	C[5,6a]-3:O[5]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CHHP)	C(C[6a]C[5,6a]C[6a])(PC[6a]2Pd)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(O[5]Ga[5,5]Pd)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CHHP){1|Ga<6>,1|Pd<5>,1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[5,6a]C[6a])(PC[6a]2Pd)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(O[5]Ga[5,5]Pd)(C[6a]C[6a]C){1|Cl<1>,1|C<3>,1|O<2>,1|O<3>,2|H<1>}	119.0420	0.371	2	119.0420	0.137	2	119.0420	0.137	2	121.5263	3.362	33	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(CCHH)	C(C[6a]C[5a,6a]C[5,6a])(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(CCHH){7|C<3>}	C(C[6a]C[5a,6a]C[5,6a])(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]C){1|C<4>,1|H<1>,5|C<3>}	120.8500	0.000	1	120.8500	0.000	1	120.8500	0.000	1	121.5263	3.362	33	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(CCHH)	C(C[6a]C[5a,6a]C[5,6a])(CHHN)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]C)(C[5]N[5]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(CCHH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C(C[6a]C[5a,6a]C[5,6a])(CHHN)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]C)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	119.9190	0.000	1	119.9190	0.000	1	119.9190	0.000	1	121.5263	3.362	33	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C[6a])(CCHH)	C(C[6a]C[5,6a]C[6a])(CHHN)(H)2	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C[6a])(CCHH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C(C[6a]C[5,6a]C[6a])(CHHN)(H)2	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|S<4>,2|H<1>,3|C<3>}	119.1860	0.000	1	119.1860	0.000	1	120.5590	1.832	11	120.8951	2.075	15	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCHH)	C(C[6a]C[5,6a]C[6a])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCHH){1|C<3>,1|H<1>,4|C<4>}	C(C[6a]C[5,6a]C[6a])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,3|H<1>}	119.0807	1.172	3	119.0807	1.373	3	120.5590	1.832	11	120.8951	2.075	15	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHH)	C(C[6a]C[5,6a]C[6a])(CC[6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]S[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C(C[6a]C[5,6a]C[6a])(CC[6a]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]S[5]HH){1|C<3>,1|C<4>,3|H<1>}	121.1952	0.386	6	121.1952	0.149	6	120.5590	1.832	11	120.8951	2.075	15	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHH)	C(C[6a]C[5,6a]C[6a])(CHHN)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHH){1|N<2>,2|C<3>,3|H<1>}	C(C[6a]C[5,6a]C[6a])(CHHN)(H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|O<1>,2|H<1>}	122.5500	0.000	1	122.5500	0.000	1	120.5590	1.832	11	120.8951	2.075	15	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC[6]HH)	C(C[6a]C[5,6a]C[6a])(C[6]C[6]2H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC[6]HH){1|C<3>,2|C<4>,3|H<1>}	C(C[6a]C[5,6a]C[6a])(C[6]C[6]2H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	121.1510	0.000	1	121.1510	0.000	1	121.1510	0.000	1	120.8951	2.075	15	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6a]-3:C[5,6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[5])(CCHH)	C(C[6a]C[5a,6a]C[5,6a])(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C)(C[5]C[5,6a]HH)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[5])(CCHH){2|H<1>,5|C<3>}	C(C[6a]C[5a,6a]C[5,6a])(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C)(C[5]C[5,6a]HH){1|O<2>,4|C<3>}	123.9310	0.000	1	123.9310	0.000	1	123.9310	0.000	1	120.8951	2.075	15	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(CCHH)	C(C[6a]C[6a,6a]C[5,6a])(CH3)(H)2	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]C)(C[5]N[5,6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(CCHH){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C(C[6a]C[6a,6a]C[5,6a])(CH3)(H)2	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]C)(C[5]N[5,6a]HH){4|C<3>}	121.0980	0.337	2	121.0980	0.113	2	121.0980	0.113	2	120.8951	2.075	15	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(CCHH)	C(C[6a]C[5,6a]C[6a])(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(CCHH){1|C<4>,5|C<3>}	C(C[6a]C[5,6a]C[6a])(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]C){1|C<4>,8|C<3>}	120.3730	0.000	1	120.3730	0.000	1	120.3730	0.000	1	121.6231	1.391	7	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(CCHH)	C(C[6a]C[5,6a]C[6a])(CB[6,6]HH)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(CCHH){1|C<3>,1|F<1>,1|H<1>,3|C<4>}	C(C[6a]C[5,6a]C[6a])(CB[6,6]HH)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|F<1>,1|N<3>,6|H<1>}	121.8750	0.000	1	121.8750	0.000	1	121.8750	0.000	1	121.6231	1.391	7	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCHH)	C(C[6a]C[5,6a]C[6a])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCHH){1|N<3>,1|O<2>,4|C<3>}	C(C[6a]C[5,6a]C[6a])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]C){1|C<4>,1|H<1>,1|O<1>,1|S<4>,3|C<3>}	120.4300	0.000	1	120.4300	0.000	1	121.3070	1.538	2	121.6231	1.391	7	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHH)	C(C[6a]C[5,6a]C[6a])(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHH){1|C<4>,1|H<1>,4|C<3>}	C(C[6a]C[5,6a]C[6a])(CCHH)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]C){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	122.1840	0.000	1	122.1840	0.000	1	121.3070	1.538	2	121.6231	1.391	7	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH)	C(C[6a]C[5,6a]C[6a])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5,6]AlH)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCHH){1|Al<5>,1|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(CH3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5,6]AlH)(C[6a]C[6a]C){2|C<3>,2|C<4>,3|H<1>}	121.0380	0.000	1	121.0380	0.000	1	121.0380	0.000	1	121.6231	1.391	7	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:H-1:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CHHP)	C(C[6a]C[5,6a]C[6a])(PC[6a]2O)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CHHP){1|H<1>,2|O<1>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(PC[6a]2O)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]C){2|H<1>,3|C<3>}	122.7310	1.478	2	122.7310	2.184	2	122.7310	2.184	2	121.6231	1.391	7	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(CCHH)	C(C[6a]C[5,6a]C[6a])(CN[5]HH)(H)2	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C(C[6a]C[5,6a]C[6a])(CN[5]HH)(H)2	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|C<3>,1|N<3>,2|O<2>,3|C<4>,4|H<1>}	119.7715	0.074	2	119.7715	0.006	2	119.7715	0.006	2	121.6778	3.293	8	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CCHH)	C(C[6a]C[5,6a]C[6a])(CHHN)(H)2	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CCHH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(CHHN)(H)2	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	123.0070	0.000	1	123.0070	0.000	1	121.0575	7.601	2	121.6778	3.293	8	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CCHH)	C(C[6a]C[5,6a]C[6a])(CHHN)(H)2	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CCHH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(CHHN)(H)2	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	119.1080	0.000	1	119.1080	0.000	1	121.0575	7.601	2	121.6778	3.293	8	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CC[5]HH)	C(C[6a]C[5,6a]C[6a])(C[5]C[5]2Rh)(H)2	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CC[5]HH){1|H<1>,2|C<3>,3|C<4>}	C(C[6a]C[5,6a]C[6a])(C[5]C[5]2Rh)(H)2	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,3|C<3>,8|H<1>}	122.6240	0.788	2	122.6240	0.620	2	122.9410	0.341	4	121.6778	3.293	8	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(CC[5]HH)	C(C[6a]C[5,6a]C[6a])(C[5]C[5]2Rh)(H)2	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(CC[5]HH){1|H<1>,2|C<3>,3|C<4>}	C(C[6a]C[5,6a]C[6a])(C[5]C[5]2Rh)(H)2	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,1|O<2>,3|C<3>,7|H<1>}	123.2580	0.038	2	123.2580	0.001	2	122.9410	0.341	4	121.6778	3.293	8	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-2:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCHO)	C(C[6a]C[5,6a]C[6a])(CHHN)(OH)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCHO){1|Cl<1>,1|C<4>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(CHHN)(OH)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){3|C<3>,5|H<1>}	122.0420	0.000	1	122.0420	0.000	1	122.0420	0.000	1	122.0420	0.000	1	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:2:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHO)	C(C[6a]C[5,6a]C[6a])(CCHH)(OH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHO){1|O<2>,2|N<3>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(CCHH)(OH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CN){1|C<3>,1|O<1>,3|H<1>}	120.7520	0.000	1	120.7520	0.000	1	120.7520	0.000	1	120.7520	0.000	1	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:2:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHO)	C(C[6a]C[5,6a]C[6a])(CC[6a]2H)(OH)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]2C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHO){2|O<2>,4|C<3>}	C(C[6a]C[5,6a]C[6a])(CC[6a]2H)(OH)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]2C[5])(C[6a]C[6a]C){1|O<1>,2|H<1>,5|C<3>}	116.7200	0.000	1	116.7200	0.000	1	116.7200	0.000	1	120.4715	28.148	2	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:2:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-2:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CCHO)	C(C[6a]C[5,6a]C[6a])(CC3)(OC)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]B)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CCHO){1|B<4>,1|H<1>,4|C<3>}	C(C[6a]C[5,6a]C[6a])(CC3)(OC)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]B)(C[6a]C[6a]C){2|H<1>,5|C<3>}	124.2230	0.000	1	124.2230	0.000	1	124.2230	0.000	1	120.4715	28.148	2	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:3:1:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:N-4:C-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHN)	C(C[6a]C[5,6a]C[6a])(NCHH)(CCH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHN){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C(C[6a]C[5,6a]C[6a])(NCHH)(CCH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	120.7850	0.000	1	120.7850	0.000	1	120.7850	0.000	1	120.7850	0.000	1	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]Br)(CCCH)	C(C[6a]C[5,6a]C[6a])(CH3)2(H)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]Br)(CCCH){1|C<4>,1|O<2>,2|C<3>}	C(C[6a]C[5,6a]C[6a])(CH3)2(H)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|Br<1>,1|C<3>,3|C<4>}	120.1560	0.879	4	120.1560	0.772	4	120.8145	1.846	6	119.8500	7.844	11	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]O)(CCCH)	C(C[6a]C[5,6a]C[6a])(CH3)2(H)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]O)(CCCH){1|C<3>,1|O<2>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(CH3)2(H)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	123.0560	0.000	1	122.1315	1.709	2	120.8145	1.846	6	119.8500	7.844	11	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]O)(CCCH)	C(C[6a]C[5,6a]C[6a])(CH3)2(H)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]O)(CCCH){1|C<4>,1|O<2>,2|C<3>}	C(C[6a]C[5,6a]C[6a])(CH3)2(H)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	121.2070	0.000	1	122.1315	1.709	2	120.8145	1.846	6	119.8500	7.844	11	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:O-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CCCO)	C(C[6a]C[5,6a]C[6a])(CCFF)2(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(S[5]O[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CCCO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6a]C[5,6a]C[6a])(CCFF)2(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(S[5]O[5]){1|C<3>,2|C<4>,2|H<1>}	112.4500	0.000	1	112.4500	0.000	1	112.4500	0.000	1	119.8500	7.844	11	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:O-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(CCCO)	C(C[6a]C[5,6a]C[6a])(CCFF)2(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(Se[5]O[5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(CCCO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6a]C[5,6a]C[6a])(CCFF)2(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(Se[5]O[5]){1|C<3>,2|C<4>,2|H<1>}	118.9445	1.023	2	118.9445	1.047	2	118.9445	1.047	2	119.8500	7.844	11	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:C-4:	C[6a]-3:C-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(CCCH)	C(C[6a]C[6a,6a]C[5,6a])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]C)(O[5]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(CCCH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[6a]C[6a,6a]C[5,6a])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]C)(O[5]C[5]){2|C<3>,3|H<1>}	121.5620	0.570	2	121.5620	0.325	2	121.5620	0.325	2	119.8500	7.844	11	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(CCCH)	C(C[6a]C[5,6a]C[6a])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]B[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<3>,1|H<1>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]B[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]C){1|C<3>,1|N<3>,2|H<1>,5|C<4>}	122.2470	0.000	1	122.2470	0.000	1	122.2470	0.000	1	123.9246	2.678	5	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(CCCH)	C(C[6a]C[5,6a]C[6a])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]C){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	124.0280	0.000	1	123.1550	1.524	2	123.1550	1.524	2	123.9246	2.678	5	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(CCCH)	C(C[6a]C[5,6a]C[6a])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(CH3)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]C){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	122.2820	0.000	1	123.1550	1.524	2	123.1550	1.524	2	123.9246	2.678	5	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCCH)	C(C[6a]C[5,6a]C[6a])(CC[6a]HH)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(CC[6a]HH)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C){1|N<2>,2|C<3>,6|H<1>}	125.5330	0.124	2	125.5330	0.015	2	125.5330	0.015	2	123.9246	2.678	5	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCCH)	C(C[6a]C[5,6a]C[6a])(CC[6a]2H)(CC[6a]CH)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C(C[6a]C[5,6a]C[6a])(CC[6a]2H)(CC[6a]CH)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){3|H<1>,4|C<3>}	123.9352	0.548	4	123.9352	0.300	4	123.9352	0.300	4	123.5124	1.119	5	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:Si-4:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(CSi2H)	C(C[6a]C[5,6a]C[6a])(SiC3)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[6a]B[5]H)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(CSi2H){1|B<3>,1|H<1>,2|C<3>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(SiC3)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[6a]B[5]H)(C[6a]C[6a]C){2|Si<4>,1|O<2>,2|H<1>,3|C<3>}	121.8210	0.000	1	121.8210	0.000	1	121.8210	0.000	1	123.5124	1.119	5	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CCCH)	C(C[6a]C[5,6a]C[6a])(CH3)2(H)	C[5,6a](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CCCH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(CH3)2(H)	C[5,6a](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	121.8350	0.000	1	121.8350	0.000	1	121.8350	0.000	1	122.0848	1.899	5	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:H-1:	P[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[3,5])(C[6a]C[6a]H)(CCCH)	C(C[6a]C[5,6a]C[6a])(CH3)2(H)	C[5,6a](P[3,5]C[3,5]C[3]Au)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]P[3,5])(C[6a]C[6a]H)(CCCH){1|Au<2>,1|C<3>,4|C<4>}	C(C[6a]C[5,6a]C[6a])(CH3)2(H)	C[5,6a](P[3,5]C[3,5]C[3]Au)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<3>,3|C<4>,4|H<1>}	123.1800	0.000	1	123.1800	0.000	1	123.1800	0.000	1	122.0848	1.899	5	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:H-1:	Si[5]-4:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(CCCH)	C(C[6a]C[5,6a]C[6a])(CH3)2(H)	C[5,6a](Si[5]C[6a]C[5]Rh)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(CCCH){1|Rh<3>,2|C<3>,3|C<4>}	C(C[6a]C[5,6a]C[6a])(CH3)2(H)	C[5,6a](Si[5]C[6a]C[5]Rh)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,3|C<3>,5|H<1>}	120.8710	0.000	1	120.8710	0.000	1	120.7960	0.011	2	122.0848	1.899	5	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:H-1:	Si[5]-4:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(CCCH)	C(C[6a]C[5,6a]C[6a])(CH3)2(H)	C[5,6a](Si[5]Si[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(CH3)2(H)	C[5,6a](Si[5]Si[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>,4|C<4>}	120.7210	0.000	1	120.7210	0.000	1	120.7960	0.011	2	122.0848	1.899	5	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:Si-4:H-1:	Ge[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]Ge[5,6])(C[6a]C[6a]H)(CSi2H)	C(C[6a]C[5,6a]C[6a])(SiC3)2(H)	C[5,6a](Ge[5,6]C[6]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]Ge[5,6])(C[6a]C[6a]H)(CSi2H){1|O<2>,2|C<4>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(SiC3)2(H)	C[5,6a](Ge[5,6]C[6]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){2|Si<4>,2|C<4>,2|H<1>,3|C<3>}	123.8170	0.000	1	123.8170	0.000	1	123.8170	0.000	1	122.0848	1.899	5	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:2:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:O-2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CCCO)	C(C[6a]C[5,6a]C[6a])(CCFF)2(OLi)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(S[5]O[5])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CCCO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6a]C[5,6a]C[6a])(CCFF)2(OLi)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(S[5]O[5]){1|C<3>,2|C<4>,2|H<1>}	113.1840	0.000	1	113.1840	0.000	1	113.1840	0.000	1	113.1840	0.000	1	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:2:	3:3:3:	C[4,6a]-3:C[5,6a]-3:C-4:	C[6a]-3:C-4:C-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[4,6a]C[4,6,6]C[4,6a])(C[5,6a]C[5,6a]C[5])(CCCO)	C(C[6a]C[4,6a]C[5,6a])(CH3)2(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[4,6a]C)(C[5]O[5]O)	C[6a](C[4,6a]C[4,6,6]C[4,6a])(C[5,6a]C[5,6a]C[5])(CCCO){1|C<3>,1|O<1>,2|O<2>,3|C<4>}	C(C[6a]C[4,6a]C[5,6a])(CH3)2(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[4,6a]C)(C[5]O[5]O){1|C<3>,1|C<4>,3|H<1>}	123.6750	0.000	1	123.6750	0.000	1	123.6750	0.000	1	123.6750	0.000	1	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:2:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]N[5])(O[5]In[4,5,5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|In<6>,1|C<3>,1|C<4>,1|N<3>}	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]N[5])(O[5]In[4,5,5])(C[6a]C[6a]C){1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|S<2>}	120.2010	0.501	2	120.2010	0.251	2	120.7052	0.251	12	120.7052	0.251	12	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:2:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]O[5])(O[5]Si[4,4,5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|Si<6>,1|C<3>,1|C<4>,1|O<2>}	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]O[5])(O[5]Si[4,4,5])(C[6a]C[6a]C){1|C<3>,2|H<1>,4|N<3>}	121.2500	0.000	1	121.2500	0.000	1	120.7052	0.251	12	120.7052	0.251	12	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:2:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]O[4,5]C[6a])(O[5]In[4,5,5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|In<6>,1|C<3>,1|H<1>,1|O<3>}	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]O[4,5]C[6a])(O[5]In[4,5,5])(C[6a]C[6a]C){1|In<4>,1|C<3>,1|C<4>,1|H<1>,1|O<2>,3|O<3>}	121.6100	0.000	1	121.6100	0.000	1	120.7052	0.251	12	120.7052	0.251	12	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:2:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]S[5,5]C[6a])(O[5]In[4,3x5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|In<6>,1|C<3>,1|C<4>,1|S<3>}	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]S[5,5]C[6a])(O[5]In[4,3x5])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|O<2>,1|S<3>,2|H<1>,2|O<3>}	120.6500	0.350	8	120.6500	0.122	8	120.7052	0.251	12	120.7052	0.251	12	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[5a,6a]H)(CC3)	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[5a,6a]S[5])(C[6a]C[6a]C)(N[5]S[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[5a,6a]H)(CC3){1|C<3>,3|S<2>}	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[5a,6a]S[5])(C[6a]C[6a]C)(N[5]S[5]){1|C<3>,1|H<1>,1|N<2>}	121.4090	0.000	1	121.4090	0.000	1	121.4411	0.962	7	120.9683	0.989	71	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(CC3)	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a,6a]S[5])(C[6a]C[6a]C)(N[5]S[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(CC3){1|C<3>,1|N<2>,2|S<2>}	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a,6a]S[5])(C[6a]C[6a]C)(N[5]S[5]){1|C<3>,1|H<1>,1|N<2>}	120.6240	0.719	3	120.6240	0.518	3	121.4411	0.962	7	120.9683	0.989	71	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)(N[5]C[5,6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC3){1|C<4>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)(N[5]C[5,6a]){2|H<1>,3|C<3>}	122.8390	0.000	1	122.8390	0.000	1	121.4411	0.962	7	120.9683	0.989	71	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(N[5]S[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC3){2|C<3>,2|S<2>}	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(N[5]S[5]){1|C<3>,1|H<1>,1|N<2>}	121.9840	0.436	2	121.9840	0.190	2	121.4411	0.962	7	120.9683	0.989	71	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){2|C<3>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	123.1860	0.000	1	123.1860	0.000	1	120.9061	1.006	62	120.9683	0.989	71	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|C<3>,1|N<3>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5,5]){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.9600	0.000	1	121.9600	0.000	1	120.9061	1.006	62	120.9683	0.989	71	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|C<3>,1|N<3>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,2|C<4>,3|H<1>}	122.0650	0.000	1	122.4194	0.195	9	120.9061	1.006	62	120.9683	0.989	71	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|C<3>,1|N<4>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5]){1|Cd<4>,1|C<4>,2|C<3>,3|H<1>}	122.2030	0.000	1	122.4194	0.195	9	120.9061	1.006	62	120.9683	0.989	71	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|C<4>,1|N<3>,2|C<3>}	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5]){1|Co<6>,2|C<3>,2|H<1>}	122.5400	0.491	4	122.4194	0.195	9	120.9061	1.006	62	120.9683	0.989	71	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|C<4>,1|N<3>,2|C<3>}	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5]){1|Cu<4>,2|C<3>,2|H<1>}	121.9420	0.000	1	122.4194	0.195	9	120.9061	1.006	62	120.9683	0.989	71	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|C<4>,1|N<3>,2|C<3>}	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5]){1|Ni<6>,2|C<3>,2|H<1>}	122.7025	0.463	2	122.4194	0.195	9	120.9061	1.006	62	120.9683	0.989	71	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]Ga[3x5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|Ga<6>,1|C<3>,1|C<4>,1|N<3>}	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]Ga[3x5]){2|C<3>,2|H<1>,2|N<3>,2|O<2>}	119.7803	0.281	3	119.7803	0.079	3	120.9061	1.006	62	120.9683	0.989	71	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]Ga[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|Ga<5>,1|C<3>,1|C<4>,1|N<3>}	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]Ga[5,5]){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.5198	0.308	4	120.5198	0.095	4	120.9061	1.006	62	120.9683	0.989	71	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]Ga[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|Ga<4>,1|C<3>,1|C<4>,1|N<3>}	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]Ga[5]){2|C<3>,2|C<4>,2|H<1>}	120.1030	0.000	1	120.1030	0.000	1	120.9061	1.006	62	120.9683	0.989	71	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]In[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|In<4>,1|C<3>,1|C<4>,1|N<3>}	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]In[5]){1|I<1>,1|N<4>,2|C<3>,2|H<1>}	121.0490	0.000	1	120.5905	0.106	4	120.9061	1.006	62	120.9683	0.989	71	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]In[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|In<4>,1|C<3>,1|C<4>,1|N<3>}	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]In[5]){2|C<3>,2|H<1>,2|I<1>}	120.2850	0.000	1	120.5905	0.106	4	120.9061	1.006	62	120.9683	0.989	71	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]In[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|In<4>,1|C<3>,1|C<4>,1|N<3>}	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]In[5]){2|Cl<1>,2|C<3>,2|H<1>}	120.5600	0.000	1	120.5905	0.106	4	120.9061	1.006	62	120.9683	0.989	71	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]In[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|In<5>,1|C<3>,1|C<4>,1|N<3>}	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]In[5]){2|Cl<1>,1|N<4>,2|C<3>,2|H<1>}	120.4680	0.000	1	120.5905	0.106	4	120.9061	1.006	62	120.9683	0.989	71	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]B[5,5a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|B<4>,1|C<3>,1|C<4>,1|O<3>}	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]B[5,5a]){1|Ag<4>,1|C<3>,2|H<1>,2|O<2>}	121.0330	0.000	1	121.0330	0.000	1	120.9061	1.006	62	120.9683	0.989	71	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|C<3>,1|O<2>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5,5]){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	121.9390	0.000	1	121.9390	0.000	1	120.9061	1.006	62	120.9683	0.989	71	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]Ga[3x5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|Ga<6>,1|C<3>,1|C<4>,1|O<2>}	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]Ga[3x5]){1|C<3>,2|H<1>,4|O<2>}	119.8362	0.437	6	119.8362	0.191	6	120.9061	1.006	62	120.9683	0.989	71	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]Ga[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|Ga<4>,1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]Ga[5,5]){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	121.8405	0.025	2	121.8405	0.001	2	120.9061	1.006	62	120.9683	0.989	71	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]Ge[5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|Ge<5>,1|C<3>,1|C<4>,1|O<2>}	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]Ge[5]){2|Cl<1>,2|C<3>,2|H<1>}	120.8420	0.000	1	120.8420	0.000	1	120.9061	1.006	62	120.9683	0.989	71	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]In[3x5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|In<6>,1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]In[3x5]){1|C<3>,1|C<4>,1|H<1>,2|N<3>,2|O<2>}	120.3930	0.430	4	120.5134	0.453	22	120.9061	1.006	62	120.9683	0.989	71	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]In[3x5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|In<6>,1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]In[3x5]){1|C<3>,1|C<4>,1|H<1>,4|O<2>}	120.5402	0.723	18	120.5134	0.453	22	120.9061	1.006	62	120.9683	0.989	71	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]C)(O[5]C[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|Si<4>,1|C<3>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]C)(O[5]C[5,5]){2|C<4>,2|H<1>,3|C<3>}	122.2360	0.000	1	122.2360	0.000	1	120.9061	1.006	62	120.9683	0.989	71	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]C)(O[5]Nb[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|Nb<6>,1|C<3>,1|C<4>,1|N<3>}	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]C)(O[5]Nb[5,5]){2|Cl<1>,1|O<2>,1|O<3>,2|C<3>,2|H<1>}	121.6295	0.098	2	121.4200	0.137	3	120.9061	1.006	62	120.9683	0.989	71	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]C)(O[5]Nb[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|Nb<6>,1|C<3>,1|C<4>,1|N<3>}	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]C)(O[5]Nb[5,5]){3|Cl<1>,1|O<2>,2|C<3>,2|H<1>}	121.0010	0.000	1	121.4200	0.137	3	120.9061	1.006	62	120.9683	0.989	71	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]C)(O[5]Si[5,5])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC3){1|Si<5>,1|C<3>,1|C<4>,1|N<3>}	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]C)(O[5]Si[5,5]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.5345	0.029	2	120.5345	0.001	2	120.9061	1.006	62	120.9683	0.989	71	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(P[5]C[5])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CC3){1|C<4>,1|O<2>,2|C<3>}	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(P[5]C[5]){2|C<3>,2|H<1>}	121.2410	0.338	2	121.2410	0.114	2	121.2410	0.114	2	120.9683	0.989	71	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(CC3){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]O[5]O){1|H<1>,3|C<3>}	124.1440	0.000	1	124.1440	0.000	1	124.1440	0.000	1	123.1125	0.780	4	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5,6a]-3:O[4,5]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[4,5])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]N[5])(O[4,5]In[4,5]2)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]O[4,5])(C[6a]C[6a]H)(CC3){2|In<4>,1|C<3>,1|C<4>,1|N<3>}	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]N[5])(O[4,5]In[4,5]2)(C[6a]C[6a]C){1|N<3>,1|O<3>,2|C<3>,2|C<4>,2|H<1>}	122.4120	0.397	2	122.4120	0.158	2	122.4120	0.158	2	123.1125	0.780	4	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	O[4,5]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[4,5])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](O[4,5]In[4,5,5]In[4])(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]O[4,5])(C[6a]C[6a]H)(CC3){1|In<4>,1|In<6>,1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](O[4,5]In[4,5,5]In[4])(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|I<1>,3|O<3>}	123.4820	0.000	1	123.4820	0.000	1	123.4820	0.000	1	123.1125	0.780	4	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC3){1|C<3>,2|H<1>,3|C<4>}	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	123.8210	0.000	1	123.9355	0.026	2	125.1607	4.516	3	124.1610	2.231	10	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC3){2|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<2>,1|S<1>,2|C<4>}	124.0500	0.000	1	123.9355	0.026	2	125.1607	4.516	3	124.1610	2.231	10	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:3:4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HP)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC3){1|C<3>,1|H<1>,1|P<3>,3|C<4>}	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HP){1|C<3>,2|C<4>,4|H<1>}	127.6110	0.000	1	127.6110	0.000	1	125.1607	4.516	3	124.1610	2.231	10	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[5,6a]C[5,6a,6a]C[5])(CC3)	C(C[6a]C[6a,6a]C[5,6a])(CH3)3	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6a]C[6a,6a]C)(C[5]C[5,6a]HH)	C[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[5,6a]C[5,6a,6a]C[5])(CC3){3|H<1>,5|C<3>}	C(C[6a]C[6a,6a]C[5,6a])(CH3)3	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6a]C[6a,6a]C)(C[5]C[5,6a]HH){5|C<3>}	123.2240	0.000	1	123.2240	0.000	1	123.2240	0.000	1	124.1610	2.231	10	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:3:4:	C[6a,6a]-3:C[5,6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(CC3)	C(C[6a]C[6a,6a]C[5,6a])(CH3)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)(C[5]C[5,6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(CC3){3|H<1>,5|C<3>}	C(C[6a]C[6a,6a]C[5,6a])(CH3)3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)(C[5]C[5,6a]HH){5|C<3>}	123.8173	1.137	6	123.8173	1.292	6	123.8173	1.292	6	124.1610	2.231	10	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5,6a]-3:Ga[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]Ga[5])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]C[5])(Ga[5]C[6a]2N[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]Ga[5])(C[6a]C[6a]H)(CC3){1|N<4>,2|C<4>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]C[5])(Ga[5]C[6a]2N[5])(C[6a]C[6a]C){2|C<4>,4|H<1>,5|C<3>}	121.6840	0.000	1	121.6840	0.000	1	123.0600	3.787	2	124.3695	1.386	8	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5,6a]-3:Ga[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]Ga[5])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]C[5])(Ga[5]N[5]Cl2)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]Ga[5])(C[6a]C[6a]H)(CC3){2|Cl<1>,1|C<3>,1|N<4>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]C[5])(Ga[5]N[5]Cl2)(C[6a]C[6a]C){1|C<3>,2|C<4>,4|H<1>}	124.4360	0.000	1	124.4360	0.000	1	123.0600	3.787	2	124.3695	1.386	8	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[5]IrC)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CC3){1|Ir<4>,1|C<3>,4|C<4>}	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[5]IrC)(C[6a]C[6a]C){1|C<3>,2|C<4>,4|H<1>}	124.6543	0.350	3	124.9005	0.324	4	124.8060	0.269	6	124.3695	1.386	8	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[5]IrC)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CC3){1|Ir<4>,2|C<3>,3|C<4>}	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[5]IrC)(C[6a]C[6a]C){1|C<3>,2|C<4>,4|H<1>}	125.6390	0.000	1	124.9005	0.324	4	124.8060	0.269	6	124.3695	1.386	8	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[5]Mo2)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CC3){2|Mo<9>,1|C<3>,3|C<4>}	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[5]Mo2)(C[6a]C[6a]C){1|C<3>,2|C<4>,4|H<1>}	124.2540	0.000	1	124.2540	0.000	1	124.8060	0.269	6	124.3695	1.386	8	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[5]PdC)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CC3){1|Pd<4>,1|C<3>,4|C<4>}	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[5]PdC)(C[6a]C[6a]C){1|C<3>,2|C<4>,4|H<1>}	124.9800	0.000	1	124.9800	0.000	1	124.8060	0.269	6	124.3695	1.386	8	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](B[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(CC3){1|N<4>,2|C<4>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](B[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){2|C<4>,4|H<1>,5|C<3>}	124.5480	0.000	1	124.5480	0.000	1	124.5480	0.000	1	121.5838	2.638	6	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	Ga[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]Ga[5,5])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](Ga[5,5]C[5,5a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]Ga[5,5])(C[6a]C[6a]H)(CC3){1|N<4>,2|C<4>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](Ga[5,5]C[5,5a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){2|C<4>,4|H<1>,5|C<3>}	121.5850	1.147	2	121.5850	1.315	2	121.0422	0.865	4	121.5838	2.638	6	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	Ga[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]Ga[5,5])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](Ga[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]Ga[5,5])(C[6a]C[6a]H)(CC3){1|N<4>,2|C<4>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](Ga[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){2|C<4>,4|H<1>,5|C<3>}	120.4995	0.316	2	120.4995	0.100	2	121.0422	0.865	4	121.5838	2.638	6	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:4:4:4:	4:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	In[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]In[5,5])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](In[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]In[5,5])(C[6a]C[6a]H)(CC3){1|N<4>,2|C<4>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(CH3)3	C[5,6a](In[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){2|C<4>,4|H<1>,5|C<3>}	120.7860	0.000	1	120.7860	0.000	1	120.7860	0.000	1	121.5838	2.638	6	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5,6a]	3:3:4:	3:5:1:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:P-5:H-1:H-1:	C[5,6a]-3:S[5]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CHHP)	C(C[6a]C[5,6a]C[6a])(PC[6a]2PrO)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]Pr)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CHHP){1|Pr<15>,1|H<1>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(PC[6a]2PrO)(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]Pr)(C[6a]C[6a]C){2|H<1>,3|C<3>}	122.0105	0.524	4	122.0105	0.275	4	122.0105	0.275	4	122.0105	0.275	4	122.3212	4.805	725	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:2:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CH3)	C(C[6a]C[5a,6a]N[6a])(H)3	C[5a,6a](C[5a,6a]N[5a,6]N[6a])(N[5a]C[5a,6])(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C(C[6a]C[5a,6a]N[6a])(H)3	C[5a,6a](C[5a,6a]N[5a,6]N[6a])(N[5a]C[5a,6])(C[6a]N[6a]C){1|C<4>,2|C<3>}	123.3440	0.168	2	123.3440	0.028	2	123.0663	0.245	3	122.9567	0.212	4	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:2:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CH3)	C(C[6a]C[5a,6a]N[6a])(H)3	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C(C[6a]C[5a,6a]N[6a])(H)3	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]N[6a]C){3|C<3>}	122.5110	0.000	1	122.5110	0.000	1	123.0663	0.245	3	122.9567	0.212	4	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:2:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a])(CH3)	C(C[6a]C[5a,6a]N[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a])(CH3){1|N<2>,3|C<3>}	C(C[6a]C[5a,6a]N[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]C){3|C<3>}	122.6280	0.000	1	122.6280	0.000	1	122.6280	0.000	1	122.9567	0.212	4	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CH3)	C(C[6a]C[5a,6a]N[6a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C(C[6a]C[5a,6a]N[6a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]){3|C<3>}	122.5780	0.000	1	122.5780	0.000	1	122.5780	0.000	1	121.6820	1.096	5	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]N[6a])(CH3)	C(C[6a]C[5a,6a]N[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(O[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]N[6a])(CH3){1|N<2>,3|C<3>}	C(C[6a]C[5a,6a]N[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(O[5a]N[5a]){1|C<4>,1|N<3>,1|O<1>}	122.1550	0.000	1	122.1550	0.000	1	122.1550	0.000	1	121.6820	1.096	5	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]N[6a])(CH3)	C(C[6a]C[5a,6a]N[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]N[6a])(CH3){1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[5a,6a]N[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C)(S[5a]C[5a]){1|C<4>,1|N<3>,1|O<1>}	121.7890	0.000	1	121.8975	0.024	2	121.8975	0.024	2	121.6820	1.096	5	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]N[6a])(CH3)	C(C[6a]C[5a,6a]N[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]N[6a])(CH3){1|N<2>,3|C<3>}	C(C[6a]C[5a,6a]N[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C)(S[5a]C[5a]){1|C<4>,1|N<3>,1|O<1>}	122.0060	0.000	1	121.8975	0.024	2	121.8975	0.024	2	121.6820	1.096	5	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(CH3)	C(C[6a]C[5a,6a]N[6a])(H)3	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(CH3){1|H<1>,3|C<3>}	C(C[6a]C[5a,6a]N[6a])(H)3	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	119.8820	0.000	1	119.8820	0.000	1	119.8820	0.000	1	121.6820	1.096	5	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:F-1:F-1:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CF3)	C(C[6a]C[5a,6a]N[6a])(F)3	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CF3){1|N<3>,4|C<3>}	C(C[6a]C[5a,6a]N[6a])(F)3	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]C){1|H<1>,5|C<3>}	121.1420	0.000	1	121.1420	0.000	1	121.1420	0.000	1	121.5784	2.486	12	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:F-1:F-1:F-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CF3)	C(C[6a]C[5a,6a]N[6a])(F)3	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CF3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[5a,6a]N[6a])(F)3	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]H){1|C<3>,2|H<1>}	124.1160	0.000	1	124.1160	0.000	1	124.1160	0.000	1	121.5784	2.486	12	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(N[6a]C[6a,6a])(CH3)	C(C[6a]C[5a,6a]N[6a])(H)3	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a,6a]S[5a])(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(N[6a]C[6a,6a])(CH3){2|S<2>,3|C<3>}	C(C[6a]C[5a,6a]N[6a])(H)3	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a,6a]S[5a])(C[6a]N[6a]C){4|C<3>}	120.0850	0.000	1	120.0850	0.000	1	120.0850	0.000	1	121.5784	2.486	12	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[5a,6a])(CH3)	C(C[6a]C[5a,6a]N[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[5a,6a])(CH3){2|N<3>,3|C<3>}	C(C[6a]C[5a,6a]N[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C){1|C<4>,1|H<1>,4|C<3>}	121.2760	0.000	1	121.2760	0.000	1	121.8597	0.265	3	121.5784	2.486	12	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(CH3)	C(C[6a]C[5a,6a]N[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(CH3){1|N<3>,4|C<3>}	C(C[6a]C[5a,6a]N[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C){1|C<4>,2|H<1>,3|C<3>}	122.2470	0.000	1	122.1515	0.018	2	121.8597	0.265	3	121.5784	2.486	12	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(CH3)	C(C[6a]C[5a,6a]N[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(CH3){1|N<3>,4|C<3>}	C(C[6a]C[5a,6a]N[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C){1|H<1>,2|C<4>,3|C<3>}	122.0560	0.000	1	122.1515	0.018	2	121.8597	0.265	3	121.5784	2.486	12	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a])(CH3)	C(C[6a]C[5a,6a]N[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]C)(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a])(CH3){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C(C[6a]C[5a,6a]N[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]C)(C[6a]N[6a]C){1|N<3>,1|O<1>}	123.0770	0.000	1	123.0770	0.000	1	123.0770	0.000	1	121.5784	2.486	12	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CH3)	C(C[6a]C[5a,6a]N[6a])(H)3	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CH3){1|H<1>,4|C<3>}	C(C[6a]C[5a,6a]N[6a])(H)3	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(N[5a]C[5a]H){2|C<3>,2|H<1>}	121.4065	0.329	2	121.4065	0.108	2	121.4065	0.108	2	121.5784	2.486	12	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CH3)	C(C[6a]C[5a,6a]N[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CH3){2|H<1>,3|C<3>}	C(C[6a]C[5a,6a]N[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C){1|H<1>,3|C<3>}	122.1775	0.342	2	122.1775	0.117	2	122.1775	0.117	2	121.5784	2.486	12	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(CH3)	C(C[6a]C[5a,6a]N[6a])(H)3	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(CH3){1|H<1>,4|C<3>}	C(C[6a]C[5a,6a]N[6a])(H)3	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]C){2|C<3>,2|H<1>}	117.7740	0.000	1	117.7740	0.000	1	117.7740	0.000	1	121.5784	2.486	12	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(CC[6a]HH)	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(CC[6a]HH){1|C<4>,1|N<3>,3|C<3>}	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]C){1|C<4>,2|H<1>,3|C<3>}	122.7510	0.000	1	122.7510	0.000	1	122.7510	0.000	1	121.6258	0.853	5	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:2:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CC[6a]HH)	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CC[6a]HH){1|H<1>,4|C<3>}	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(N[5a]C[5a]H){2|C<3>,2|H<1>}	121.3445	0.781	4	121.3445	0.610	4	121.3445	0.610	4	121.6258	0.853	5	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:2:4:	3:3:2:1:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(CC[6a]HO)	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(CC[6a]HO){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(OH)(H)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]C){2|C<3>}	122.3990	0.000	1	122.3990	0.000	1	122.3990	0.000	1	122.3990	0.000	1	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:2:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[5a]-3:N-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[5a]HN)	C(C[6a]C[5a,6a]N[6a])(C[5a]N[5a]2)(NCH)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[5a]HN){1|H<1>,4|C<3>}	C(C[6a]C[5a,6a]N[6a])(C[5a]N[5a]2)(NCH)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C){1|H<1>,3|C<3>}	123.1400	0.000	1	123.1400	0.000	1	123.1400	0.000	1	123.1400	0.000	1	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:2:4:	3:3:4:3:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:C-4:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6a]CN)	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(CCHH)(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6a]CN){1|C<3>,2|H<1>,2|N<2>}	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(CCHH)(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>}	122.2980	0.000	1	122.2980	0.000	1	122.2980	0.000	1	122.2980	0.000	1	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CCHH)	C(C[6a]C[5a,6a]N[6a])(CCCH)(H)2	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CCHH){1|H<1>,4|C<3>}	C(C[6a]C[5a,6a]N[6a])(CCCH)(H)2	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(N[5a]C[5a]H){2|C<3>,2|H<1>}	120.8950	0.000	1	120.8950	0.000	1	120.8950	0.000	1	121.4082	3.082	4	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CCHH)	C(C[6a]C[5a,6a]N[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CCHH){2|H<1>,3|C<3>}	C(C[6a]C[5a,6a]N[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C){1|H<1>,3|C<3>}	123.8010	0.000	1	123.8010	0.000	1	123.8010	0.000	1	121.4082	3.082	4	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:H-1:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(CCHH)	C(C[6a]C[5a,6a]N[6a])(CCHH)(H)2	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(CCHH){1|H<1>,4|C<3>}	C(C[6a]C[5a,6a]N[6a])(CCHH)(H)2	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]C){2|C<3>,2|H<1>}	119.6050	0.000	1	119.6050	0.000	1	119.6050	0.000	1	121.4082	3.082	4	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6]HH)	C(C[6a]C[5a,6a]N[6a])(C[6]C[6]2H)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6]HH){1|H<1>,4|C<3>}	C(C[6a]C[5a,6a]N[6a])(C[6]C[6]2H)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C){1|H<1>,3|C<3>}	121.3320	0.000	1	121.3320	0.000	1	121.3320	0.000	1	121.4082	3.082	4	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:2:4:	3:4:4:1:	3:3:2:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:C-4:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(CCCH)	C(C[6a]C[5a,6a]N[6a])(CH3)2(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(CCCH){1|H<1>,3|C<3>}	C(C[6a]C[5a,6a]N[6a])(CH3)2(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	119.6465	0.600	2	119.6465	0.360	2	119.6465	0.360	2	119.6465	0.360	2	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:2:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CCCH)	C(C[6a]C[5a,6a]N[6a])(CCHH)2(H)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CCCH){1|H<1>,1|S<2>,3|C<3>}	C(C[6a]C[5a,6a]N[6a])(CCHH)2(H)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]C){1|H<1>,2|C<3>}	118.9200	0.000	1	118.9200	0.000	1	120.2960	3.787	2	121.0930	3.799	3	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:2:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(CCCH)	C(C[6a]C[5a,6a]N[6a])(CH3)2(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(CCCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C(C[6a]C[5a,6a]N[6a])(CH3)2(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]C){1|C<3>,2|H<1>}	121.6720	0.000	1	121.6720	0.000	1	120.2960	3.787	2	121.0930	3.799	3	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:2:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CCCH)	C(C[6a]C[5a,6a]N[6a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CCCH){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[5a,6a]N[6a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]N[5a]H){1|C<3>,2|H<1>}	122.6870	0.000	1	122.6870	0.000	1	122.6870	0.000	1	121.0930	3.799	3	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:2:4:	3:4:4:4:	3:3:3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CC3)	C(C[6a]C[5a,6a]N[6a])(CH3)3	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CC3){1|H<1>,1|S<2>,3|C<3>}	C(C[6a]C[5a,6a]N[6a])(CH3)3	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]N[6a]C){1|Br<1>,2|C<3>}	121.8795	0.124	2	121.8795	0.015	2	121.8795	0.015	2	121.8795	0.015	2	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	119.9730	0.000	1	119.9730	0.000	1	122.3270	11.083	2	120.0626	3.674	14	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)(CH3){1|C<4>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	124.6810	0.000	1	124.6810	0.000	1	122.3270	11.083	2	120.0626	3.674	14	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	121.3088	0.206	5	121.3088	0.042	5	121.3088	0.042	5	120.0626	3.674	14	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(CH3){1|C<4>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	117.4590	0.000	1	117.4590	0.000	1	118.5256	0.325	7	120.0626	3.674	14	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C){1|O<2>,2|C<3>,2|H<1>}	119.1500	0.000	1	118.7033	0.125	6	118.5256	0.325	7	120.0626	3.674	14	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	118.6140	0.309	5	118.7033	0.125	6	118.5256	0.325	7	120.0626	3.674	14	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])2(CH3)	C(C[6a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])2(CH3){5|C<3>}	C(C[6a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<2>}	124.4435	0.158	2	124.4435	0.025	2	124.4435	0.025	2	121.6432	1.603	116	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(CH3)	C(C[6a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(S[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(CH3){1|B<3>,1|S<2>,4|C<3>}	C(C[6a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(S[5a]C[5a,6a]){1|B<3>,1|C<4>,3|C<3>}	118.8850	0.000	1	118.8850	0.000	1	118.8850	0.000	1	121.6432	1.603	116	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:F-1:F-1:F-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CF3)	C(C[6a]C[5a,6a]C[6a])(F)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CF3){1|H<1>,1|N<3>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(F)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	120.7720	0.000	1	120.7910	0.408	3	120.7910	0.408	3	121.6432	1.603	116	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:F-1:F-1:F-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CF3)	C(C[6a]C[5a,6a]C[6a])(F)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CF3){1|H<1>,1|N<3>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(F)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	120.1620	0.000	1	120.7910	0.408	3	120.7910	0.408	3	121.6432	1.603	116	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:F-1:F-1:F-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CF3)	C(C[6a]C[5a,6a]C[6a])(F)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CF3){1|H<1>,1|N<3>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(F)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){2|C<3>,3|H<1>}	121.4390	0.000	1	120.7910	0.408	3	120.7910	0.408	3	121.6432	1.603	116	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(CH3){1|Br<1>,1|C<3>,1|N<2>,1|N<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|Br<1>,1|H<1>,2|C<3>}	126.1050	0.000	1	126.1050	0.000	1	121.3461	2.240	16	121.6432	1.603	116	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|N<3>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	121.2525	0.463	2	121.4847	0.269	3	121.3461	2.240	16	121.6432	1.603	116	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|N<3>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	121.9490	0.000	1	121.4847	0.269	3	121.3461	2.240	16	121.6432	1.603	116	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|H<1>,1|O<2>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	121.9910	0.158	3	121.9910	0.025	3	121.3461	2.240	16	121.6432	1.603	116	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|H<1>,1|S<2>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	120.5561	0.657	9	120.5561	0.431	9	121.3461	2.240	16	121.6432	1.603	116	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(CH3){1|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	121.9460	0.000	1	121.4596	0.420	7	122.0490	0.337	83	121.6432	1.603	116	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(CH3){1|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|S<3>,3|C<4>}	121.3785	0.670	6	121.4596	0.420	7	122.0490	0.337	83	121.6432	1.603	116	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(CH3){1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]N[5a]){1|C<3>,1|H<1>,2|C<4>}	121.2590	0.000	1	121.2590	0.000	1	122.0490	0.337	83	121.6432	1.603	116	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|Br<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	122.3328	0.665	5	122.0737	0.187	68	122.0490	0.337	83	121.6432	1.603	116	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|Br<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	122.1633	0.199	4	122.0737	0.187	68	122.0490	0.337	83	121.6432	1.603	116	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|Br<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|S<3>,2|C<3>,2|H<1>}	122.0330	0.566	6	122.0737	0.187	68	122.0490	0.337	83	121.6432	1.603	116	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|C<4>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	122.0890	0.000	1	122.0737	0.187	68	122.0490	0.337	83	121.6432	1.603	116	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|C<4>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	121.7555	0.284	8	122.0737	0.187	68	122.0490	0.337	83	121.6432	1.603	116	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|C<4>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	122.2415	0.256	8	122.0737	0.187	68	122.0490	0.337	83	121.6432	1.603	116	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|C<4>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	121.6790	0.000	1	122.0737	0.187	68	122.0490	0.337	83	121.6432	1.603	116	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|C<4>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|S<3>,2|C<3>,2|H<1>}	122.2900	0.011	2	122.0737	0.187	68	122.0490	0.337	83	121.6432	1.603	116	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|Cl<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	121.6695	0.455	2	122.0737	0.187	68	122.0490	0.337	83	121.6432	1.603	116	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|Cl<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	122.2520	0.503	3	122.0737	0.187	68	122.0490	0.337	83	121.6432	1.603	116	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|Cl<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|S<3>,2|C<3>,2|H<1>}	121.9338	0.416	6	122.0737	0.187	68	122.0490	0.337	83	121.6432	1.603	116	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|F<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	122.3015	0.013	2	122.0737	0.187	68	122.0490	0.337	83	121.6432	1.603	116	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|F<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|S<3>,2|C<3>,2|H<1>}	121.6420	0.000	1	122.0737	0.187	68	122.0490	0.337	83	121.6432	1.603	116	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|H<1>,1|S<3>,2|C<4>}	122.4730	0.000	1	122.0737	0.187	68	122.0490	0.337	83	121.6432	1.603	116	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|I<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	122.1338	0.775	6	122.0737	0.187	68	122.0490	0.337	83	121.6432	1.603	116	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|I<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	122.1188	0.266	4	122.0737	0.187	68	122.0490	0.337	83	121.6432	1.603	116	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|I<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|S<3>,2|C<3>,2|H<1>}	122.0601	0.286	8	122.0737	0.187	68	122.0490	0.337	83	121.6432	1.603	116	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|I<1>,1|N<3>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]N[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.8270	0.000	1	122.4255	0.322	2	122.0490	0.337	83	121.6432	1.603	116	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|N<3>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]N[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	122.0240	0.000	1	122.4255	0.322	2	122.0490	0.337	83	121.6432	1.603	116	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|H<1>,1|O<1>,3|C<3>}	122.9575	0.503	2	123.0780	0.170	3	122.0490	0.337	83	121.6432	1.603	116	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|N<2>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|H<1>,1|I<1>,2|C<3>}	123.3190	0.000	1	123.0780	0.170	3	122.0490	0.337	83	121.6432	1.603	116	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(CH3){1|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|O<2>,2|C<3>,2|C<4>}	123.3560	0.000	1	123.3560	0.000	1	122.0490	0.337	83	121.6432	1.603	116	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O[6a])(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O[6a])(CH3){1|N<2>,4|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]N[5a]){1|O<1>,1|O<2>,2|C<3>}	120.1390	0.000	1	120.1390	0.000	1	122.0490	0.337	83	121.6432	1.603	116	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5,6a]N)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(C[6a]C[6a]C)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5,6a]N)(CH3){1|C<4>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(C[6a]C[6a]C)(S[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	120.1580	0.000	1	120.1580	0.000	1	120.1580	0.000	1	121.6432	1.603	116	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	118.6330	0.000	1	118.8707	0.291	10	118.8707	0.291	10	121.6432	1.603	116	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|I<1>,2|C<3>,2|H<1>}	119.3600	1.103	2	118.8707	0.291	10	118.8707	0.291	10	121.6432	1.603	116	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	119.0740	0.000	1	118.8707	0.291	10	118.8707	0.291	10	121.6432	1.603	116	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	118.7300	0.028	2	118.8707	0.291	10	118.8707	0.291	10	121.6432	1.603	116	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]){2|H<1>,3|C<3>}	118.7050	0.475	4	118.8707	0.291	10	118.8707	0.291	10	121.6432	1.603	116	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(CH3)	C(C[6a]C[5a,6a]C[5,6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]C)(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(CH3){1|C<2>,6|C<3>}	C(C[6a]C[5a,6a]C[5,6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]C)(C[5a]C[5a]C){1|C<2>,2|C<3>,2|C<4>}	124.9070	0.000	1	124.9070	0.000	1	124.9070	0.000	1	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(CH3)	C(C[6a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]B[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(CH3){1|B<3>,1|S<2>,4|C<3>}	C(C[6a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[5a,6a]B[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C){1|C<4>,1|N<3>,1|S<2>,3|C<3>}	124.7040	0.000	1	124.7040	0.000	1	124.7040	0.000	1	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])2(CH3)	C(C[6a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])2(CH3){2|B<3>,2|N<3>,3|C<3>}	C(C[6a]C[5a,6a]2)(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[5a,6a]C){1|Br<1>,1|C<4>,1|N<3>,4|C<3>}	122.9890	1.256	2	122.9890	1.577	2	122.9890	1.577	2	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(CH3)	C(C[6a]C[5a,6a]C[6,6a])(H)3	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]C)(C[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C(C[6a]C[5a,6a]C[6,6a])(H)3	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	119.9860	0.000	1	119.9860	0.000	1	119.9860	0.000	1	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(CH3)	C(C[6a]C[5a,6a]C[6,6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(CH3){2|C<4>,3|C<3>,3|H<1>}	C(C[6a]C[5a,6a]C[6,6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6,6a]C){1|C<4>,1|H<1>,3|C<3>}	120.2910	0.000	1	120.2910	0.000	1	120.2910	0.000	1	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(CH3)	C(C[6a]C[5a,6a]C[6a,6a])(H)3	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(CH3){1|H<1>,6|C<3>}	C(C[6a]C[5a,6a]C[6a,6a])(H)3	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C){1|H<1>,6|C<3>}	121.1740	0.000	1	121.1740	0.000	1	121.1740	0.000	1	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(CH3)	C(C[6a]C[5a,6a]C[6a,6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C)(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(CH3){2|H<1>,5|C<3>}	C(C[6a]C[5a,6a]C[6a,6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,4|C<3>}	119.8810	0.000	1	119.8810	0.000	1	119.8810	0.000	1	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:Br-1:Br-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CBr2H)	C(C[6a]C[5a,6a]C[6a])(Br)2(H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CBr2H){1|H<1>,4|C<3>}	C(C[6a]C[5a,6a]C[6a])(Br)2(H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	123.4340	0.356	2	123.4340	0.127	2	123.4340	0.127	2	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:Br-1:H-1:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[5a,6a]C)(CBrHH)	C(C[6a]C[5a,6a]C[6a])(Br)(H)2	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[5a,6a]C)(CBrHH){5|C<3>}	C(C[6a]C[5a,6a]C[6a])(Br)(H)2	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C){2|C<4>,5|C<3>}	121.1500	0.341	2	121.1500	0.116	2	121.1500	0.116	2	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,5a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]C){1|C<4>,1|H<1>,5|C<3>}	123.2530	0.038	2	123.2530	0.001	2	123.2530	0.001	2	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]O)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|H<1>,1|O<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]O)(C[6a]C[6a]C){1|H<1>,1|O<1>,3|C<3>}	122.5680	0.133	2	122.5680	0.018	2	122.5680	0.018	2	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]C)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]C)(CH3){1|N<3>,4|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|S<4>,5|C<3>}	120.0640	0.000	1	120.0640	0.000	1	120.9085	2.190	23	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CH3){1|C<4>,1|N<3>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|H<1>,3|C<3>,3|C<4>}	118.9603	0.855	3	119.6048	1.144	10	120.9085	2.190	23	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CH3){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,2|H<1>,4|C<3>}	119.1030	0.000	1	119.6048	1.144	10	120.9085	2.190	23	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CH3){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	120.2840	1.028	2	119.6048	1.144	10	120.9085	2.190	23	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CH3){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){3|H<1>,4|C<3>}	118.8165	0.760	2	119.6048	1.144	10	120.9085	2.190	23	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CH3){1|N<3>,4|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|S<4>,2|H<1>,4|C<3>}	120.9315	0.120	2	119.6048	1.144	10	120.9085	2.190	23	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	122.8360	0.000	1	121.9679	0.465	9	120.9085	2.190	23	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|S<4>,3|C<3>,3|H<1>}	121.5510	0.000	1	121.9679	0.465	9	120.9085	2.190	23	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,2|H<1>,4|C<3>}	122.6620	0.000	1	121.9679	0.465	9	120.9085	2.190	23	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|S<4>,3|C<3>,3|H<1>}	122.3380	0.000	1	121.9679	0.465	9	120.9085	2.190	23	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	122.0150	0.506	3	121.9679	0.465	9	120.9085	2.190	23	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3){1|N<3>,4|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,3|C<3>,3|H<1>}	121.1395	0.534	2	121.9679	0.465	9	120.9085	2.190	23	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3){1|N<2>,1|N<3>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C){1|C<4>,2|H<1>,3|C<3>}	122.1820	0.000	1	122.1820	0.000	1	120.9085	2.190	23	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3){2|N<3>,3|N<2>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	122.4640	0.000	1	122.4640	0.000	1	120.9085	2.190	23	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(CH3){1|N<3>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	122.4270	0.000	1	122.4270	0.000	1	120.9085	2.190	23	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5,6a]O)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5,6a]O)(CH3){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|H<1>,1|O<2>,2|C<3>}	120.0660	0.000	1	120.0660	0.000	1	121.9477	2.463	66	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5,6a]S)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5,6a]S)(CH3){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|H<1>,1|S<2>,2|C<3>}	118.9055	0.223	2	118.9055	0.050	2	121.9477	2.463	66	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(CH3){1|S<2>,2|C<3>,2|O<2>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C){1|C<4>,1|H<1>,2|C<3>}	123.2860	0.000	1	123.2860	0.000	1	121.9477	2.463	66	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[5a]C[5a,6]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[5a]C[5a,6]H)(C[6a]C[6a]C){1|B<4>,1|H<1>,3|C<3>}	118.9145	0.332	2	118.9145	0.110	2	121.9477	2.463	66	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CH3){1|N<3>,2|C<3>,2|C<4>,2|N<2>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C){3|C<3>}	121.8130	0.000	1	121.8130	0.000	1	121.9477	2.463	66	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(CH3){1|C<4>,1|O<2>,1|S<3>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	121.7510	0.324	5	121.7510	0.105	5	121.9477	2.463	66	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	119.4295	0.808	2	119.4295	0.653	2	121.9477	2.463	66	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CH3){1|C<4>,1|O<2>,1|S<3>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C){1|C<3>,1|H<1>,2|C<4>}	121.0952	0.085	4	121.0952	0.007	4	121.9477	2.463	66	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|N<2>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C){3|C<3>}	120.9040	0.000	1	120.9040	0.000	1	121.9477	2.463	66	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(CH3){1|C<4>,1|O<2>,1|S<3>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	122.2760	0.288	3	122.2760	0.083	3	121.9477	2.463	66	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|H<1>,1|O<2>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]C){1|C<4>,1|H<1>,2|C<3>}	123.0540	0.377	4	123.0540	0.142	4	121.9477	2.463	66	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|Br<1>,1|N<3>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	123.9140	0.000	1	122.6250	1.365	3	121.9477	2.463	66	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|C<4>,3|H<1>}	121.6360	0.000	1	122.6250	1.365	3	121.9477	2.463	66	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,4|H<1>}	122.3250	0.000	1	122.6250	1.365	3	121.9477	2.463	66	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	121.2330	0.000	1	121.2330	0.000	1	121.9477	2.463	66	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Si)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Si)(C[6a]C[6a]C){1|C<3>,1|C<4>,3|H<1>}	121.0380	0.000	1	121.0380	0.000	1	121.9477	2.463	66	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]C){2|C<3>,2|H<1>}	122.1930	0.000	1	122.1930	0.000	1	121.9477	2.463	66	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,2|O<2>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|O<2>,2|H<1>}	122.5120	0.000	1	123.5030	1.944	5	121.9477	2.463	66	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,2|O<2>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|H<1>,1|O<2>,2|C<3>}	123.3595	0.067	2	123.5030	1.944	5	121.9477	2.463	66	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|O<2>,2|C<3>,2|C<4>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,3|H<1>}	122.4200	0.000	1	123.5030	1.944	5	121.9477	2.463	66	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){2|O<2>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|H<1>,2|C<4>}	125.8640	0.000	1	123.5030	1.944	5	121.9477	2.463	66	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|O<2>,1|S<3>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C){1|C<3>,1|C<4>,2|H<1>}	122.9747	0.288	7	123.0334	0.122	14	121.9477	2.463	66	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|O<2>,1|S<3>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C){1|C<3>,1|H<1>,2|C<4>}	123.2093	0.305	6	123.0334	0.122	14	121.9477	2.463	66	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]C){1|C<3>,1|H<1>,2|C<4>}	122.3890	0.000	1	123.0334	0.122	14	121.9477	2.463	66	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<4>,2|N<2>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C){1|H<1>,2|C<3>}	123.8010	0.000	1	123.8010	0.000	1	121.9477	2.463	66	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[5a]N[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[5a]N[5a]C)(C[6a]C[6a]C){1|C<3>,2|H<1>}	121.4760	0.122	2	121.4065	0.604	4	121.9477	2.463	66	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[5a]N[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]N[5a]O[6a])(C[5a]N[5a]C)(C[6a]C[6a]C){1|H<1>,2|C<3>}	121.3370	1.334	2	121.4065	0.604	4	121.9477	2.463	66	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<2>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]C){1|C<2>,1|C<3>,1|H<1>}	123.7010	0.000	1	123.7010	0.000	1	121.9477	2.463	66	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|S<2>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>}	122.4806	0.417	5	122.4806	0.174	5	121.9477	2.463	66	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a,6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a,6a]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	120.7850	0.000	1	120.7850	0.000	1	121.9477	2.463	66	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]C)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]C)(CH3){1|S<2>,2|C<3>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	119.0543	2.488	3	119.0543	6.190	3	121.9477	2.463	66	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(CH3){2|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|Br<1>,1|C<4>,3|C<3>}	123.3960	0.000	1	123.3960	0.000	1	123.4185	3.554	27	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]B)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|B<3>,1|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]B){1|C<3>,4|H<1>}	124.6070	0.000	1	124.6070	0.000	1	123.4185	3.554	27	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	124.3285	0.036	2	125.0754	0.581	12	123.4185	3.554	27	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<3>,1|N<3>,3|H<1>}	124.3695	0.214	2	125.0754	0.581	12	123.4185	3.554	27	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<3>,2|H<1>,2|N<2>}	125.8602	0.251	4	125.0754	0.581	12	123.4185	3.554	27	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	125.6380	0.018	2	125.0754	0.581	12	123.4185	3.554	27	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|N<3>,2|C<3>,2|H<1>}	124.5010	0.000	1	125.0754	0.581	12	123.4185	3.554	27	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){2|H<1>,3|C<3>}	124.2910	0.000	1	125.0754	0.581	12	123.4185	3.554	27	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	122.4210	0.000	1	121.3565	0.498	8	123.4185	3.554	27	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	121.2903	0.743	3	121.3565	0.498	8	123.4185	3.554	27	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	121.2070	0.000	1	121.3565	0.498	8	123.4185	3.554	27	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	120.5430	0.000	1	121.3565	0.498	8	123.4185	3.554	27	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|S<2>,2|C<3>,2|H<1>}	121.9260	0.000	1	121.3565	0.498	8	123.4185	3.554	27	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){2|H<1>,3|C<3>}	120.8840	0.000	1	121.3565	0.498	8	123.4185	3.554	27	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]N[5a]H){1|C<3>,1|N<2>,2|H<1>}	120.5950	0.000	1	121.1635	0.646	2	123.4185	3.554	27	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]N[5a]H){1|C<3>,3|H<1>}	121.7320	0.000	1	121.1635	0.646	2	123.4185	3.554	27	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	122.1620	0.000	1	122.1620	0.000	1	123.4185	3.554	27	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	124.7440	0.000	1	124.7440	0.000	1	123.4185	3.554	27	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(CH3){1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|N<2>,1|N<3>,2|H<1>}	123.3070	0.000	1	123.3070	0.000	1	123.4185	3.554	27	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]H)(CH3){1|B<4>,4|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]C){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	125.4562	0.264	5	125.4562	0.070	5	125.2710	0.262	6	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	124.3450	0.000	1	124.3450	0.000	1	125.2710	0.262	6	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]N)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]N)(CH3){2|C<4>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|N<3>,4|C<3>}	123.8470	0.434	2	123.8470	0.188	2	123.1299	2.769	41	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CH3){1|C<4>,4|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|H<1>,4|C<3>}	125.1860	0.000	2	125.1860	0.000	2	123.1299	2.769	41	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){2|C<4>,3|C<3>}	123.8690	0.000	1	123.0475	1.350	2	123.1299	2.769	41	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){5|C<3>}	122.2260	0.000	1	123.0475	1.350	2	123.1299	2.769	41	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3){1|H<1>,1|S<4>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]C){2|C<4>,3|C<3>}	123.3730	0.000	1	123.3730	0.000	1	123.1299	2.769	41	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C){1|C<3>,2|C<4>,2|H<1>}	122.3260	0.000	1	121.6923	0.208	12	123.1299	2.769	41	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C){1|C<3>,2|C<4>,2|H<1>}	122.2630	0.638	2	121.6923	0.208	12	123.1299	2.769	41	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	121.4950	0.243	9	121.6923	0.208	12	123.1299	2.769	41	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	125.4907	0.540	3	125.4928	0.178	5	123.1299	2.769	41	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	125.2430	0.000	1	125.4928	0.178	5	123.1299	2.769	41	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	125.7490	0.000	1	125.4928	0.178	5	123.1299	2.769	41	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,4|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,5|C<3>}	124.4590	0.568	8	124.4590	0.323	8	123.1299	2.769	41	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	121.1750	0.000	1	121.6999	0.749	7	123.1299	2.769	41	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	121.7873	0.913	6	121.6999	0.749	7	123.1299	2.769	41	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	124.7750	0.000	1	124.7750	0.000	1	123.1299	2.769	41	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(CH3){1|H<1>,5|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	120.6730	0.000	1	120.6730	0.000	1	123.1299	2.769	41	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	N[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]N[5a,6,6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](N[5a,6,6a]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6,6a]C[5a,6a])(C[6a]C[6a]H)(CH3){5|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](N[5a,6,6a]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,5|C<3>}	121.2950	0.000	1	121.2950	0.000	1	121.2950	0.000	1	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]C)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]C)(CH3){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,2|H<1>,3|C<3>}	121.2305	0.518	2	121.2305	0.269	2	123.2550	5.617	4	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(CH3){1|C<4>,4|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C){3|C<3>,4|H<1>}	125.2795	0.435	2	125.2795	0.189	2	123.2550	5.617	4	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C)(CH3){1|H<1>,4|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	115.8820	0.000	1	115.8820	0.000	1	120.7963	11.324	9	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(CH3){2|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	116.4250	0.000	1	116.4250	0.000	1	120.7963	11.324	9	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,2|N<2>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	120.9192	1.424	5	120.9192	2.028	5	120.7963	11.324	9	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>,2|N<2>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|N<3>}	125.1320	1.245	2	125.1320	1.549	2	120.7963	11.324	9	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5,6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5,6a]C[5,6a]B[5])(CH3)	C(C[6a]C[5a,6a]N[5,6a])(H)3	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]N[5,6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5,6a]C[5,6a]B[5])(CH3){1|B<3>,6|C<3>}	C(C[6a]C[5a,6a]N[5,6a])(H)3	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]N[5,6a]C){1|B<3>,1|C<4>,5|C<3>}	124.0960	0.000	1	124.0960	0.000	1	124.0960	0.000	1	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C-4:	C[6a]-3:F-1:F-1:F-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[5a,6a]C[5a,6a]2)(CF3)	C(C[6a]C[5a,6a]N[5a,6a])(F)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(N[5a,6a]C[5a,6a]2)(CF3){1|N<2>,1|N<3>,5|C<3>}	C(C[6a]C[5a,6a]N[5a,6a])(F)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[5a,6a]C){2|H<1>,5|C<3>}	123.3240	0.000	1	123.3240	0.000	1	123.3240	0.000	1	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C-4:	C[6a]-3:F-1:F-1:F-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[5a,6a]2)(CF3)	C(C[6a]C[5a,6a]N[5a,6a])(F)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[5a,6a]C)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[5a,6a]2)(CF3){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C(C[6a]C[5a,6a]N[5a,6a])(F)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[5a,6a]C)(C[5a]C[5a]H){2|H<1>,3|C<3>}	121.9680	0.000	1	121.9680	0.000	1	121.9680	0.000	1	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	C(C[6a]C[5a,6a]C[6a,6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C(C[6a]C[5a,6a]C[6a,6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C){1|C<4>,2|H<1>,4|C<3>}	119.0740	0.000	1	121.2560	9.522	2	121.2560	9.522	2	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	C(C[6a]C[5a,6a]C[6a,6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,1|N<3>,5|C<3>}	C(C[6a]C[5a,6a]C[6a,6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C){1|C<4>,1|O<2>,5|C<3>}	123.4380	0.000	1	121.2560	9.522	2	121.2560	9.522	2	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[5a,6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|N<3>,6|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|H<1>,5|C<3>}	118.8770	0.000	1	118.8770	0.000	1	118.8770	0.000	1	122.3703	3.933	199	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHHO)	C(C[6a]C[5a,6a]C[6a])(OH)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHHO){1|C<3>,1|C<4>,2|N<2>}	C(C[6a]C[5a,6a]C[6a])(OH)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>}	122.2595	0.316	2	122.2595	0.100	2	122.2595	0.100	2	121.4993	1.784	3	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(CHHO)	C(C[6a]C[5a,6a]C[6a])(OC)(H)2	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(CHHO){1|C<4>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(OC)(H)2	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|N<3>,1|O<1>,3|H<1>}	119.9790	0.000	1	119.9790	0.000	1	119.9790	0.000	1	121.4993	1.784	3	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	C(C[6a]C[5a,6a]C[6a])(CN)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	C(C[6a]C[5a,6a]C[6a])(CN)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<3>,4|H<1>}	127.6050	0.000	1	127.6050	0.000	1	127.6050	0.000	1	123.0977	17.122	3	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(CHHO)	C(C[6a]C[5a,6a]C[6a])(OC)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(CHHO){1|N<3>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(OC)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	122.2170	0.000	1	120.8440	3.770	2	120.8440	3.770	2	123.0977	17.122	3	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(CHHO)	C(C[6a]C[5a,6a]C[6a])(OC)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(CHHO){1|N<3>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(OC)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|N<2>,3|C<3>,3|H<1>}	119.4710	0.000	1	120.8440	3.770	2	120.8440	3.770	2	123.0977	17.122	3	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:2:2:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:O-2:O-2:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CHOO)	C(C[6a]C[5a,6a]C[6a])(OC)2(H)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CHOO){2|C<3>,2|N<2>}	C(C[6a]C[5a,6a]C[6a])(OC)2(H)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]){1|H<1>,2|C<3>}	117.2020	0.000	1	117.2020	0.000	1	117.2020	0.000	1	117.2020	0.000	1	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CCHH)	C(C[6a]C[5a,6a]C[6a])(CCO)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CCHH){1|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(CCO)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	121.6625	0.069	2	121.6625	0.005	2	121.6625	0.005	2	121.6355	1.141	10	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:N-3:H-1:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHHN)	C(C[6a]C[5a,6a]C[6a])(NCC)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHHN){1|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(NCC)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	122.2030	0.495	2	122.2030	0.245	2	122.2030	0.245	2	121.6355	1.141	10	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:P-3:H-1:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHHP)	C(C[6a]C[5a,6a]C[6a])(PC[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHHP){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[5a,6a]C[6a])(PC[6a]2)(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,5a])(C[6a]C[6a]C){1|C<3>,2|H<1>,2|O<2>}	120.8367	0.738	4	120.8367	0.545	4	120.8367	0.545	4	121.6355	1.141	10	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:S-3:H-1:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHHS)	C(C[6a]C[5a,6a]C[6a])(SCuC)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHHS){1|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(SCuC)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	122.6385	1.783	2	122.6385	3.178	2	122.6385	3.178	2	121.6355	1.141	10	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	C(C[6a]C[5a,6a]C[6a])(CCO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C(C[6a]C[5a,6a]C[6a])(CCO)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|C<3>,1|C<4>,1|H<1>}	120.9150	0.000	1	120.9150	0.000	1	120.9150	0.000	1	122.0897	0.869	7	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[5a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC[5a]HH)	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC[5a]HH){1|C<4>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	122.2685	0.292	2	122.2685	0.085	2	122.2685	0.085	2	122.0897	0.869	7	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC[6a]HH){1|C<4>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	121.5165	0.254	2	121.5165	0.064	2	122.2940	1.174	4	122.0897	0.869	7	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])2(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC[6a]HH){1|C<4>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])2(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	123.0715	1.019	2	123.0715	1.038	2	122.2940	1.174	4	122.0897	0.869	7	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:F-1:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCFF)	C(C[6a]C[5a,6a]C[6a])(COO)(F)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCFF){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(COO)(F)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	122.6840	0.000	1	122.6840	0.000	1	122.6840	0.000	1	121.6439	5.015	14	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:F-1:F-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCFF)	C(C[6a]C[5a,6a]C[6a])(COO)(F)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCFF){2|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(COO)(F)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	121.0810	0.000	1	121.0810	0.000	1	121.0810	0.000	1	121.6439	5.015	14	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]O[6a]H)(CCHH)	C(C[6a]C[5a,6a]C[6a])(COO)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]O[6a]H)(CCHH){1|N<3>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(COO)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	122.8590	0.000	1	122.8590	0.000	1	122.8590	0.000	1	121.6439	5.015	14	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CCHH)	C(C[6a]C[5a,6a]C[6a])(CC[6a]O)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CCHH){1|N<3>,2|C<3>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(CC[6a]O)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	119.4990	0.000	1	119.4990	0.000	1	119.4990	0.000	1	121.6439	5.015	14	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	C(C[6a]C[5a,6a]C[6a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]P)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){1|H<1>,1|P<4>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]P){1|C<3>,4|H<1>}	128.2650	0.000	1	128.2650	0.000	1	128.2650	0.000	1	121.6439	5.015	14	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CCHH)	C(C[6a]C[5a,6a]C[6a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CCHH){1|H<1>,4|C<3>}	C(C[6a]C[5a,6a]C[6a])(CCH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	121.4640	0.000	1	121.4640	0.000	1	121.4640	0.000	1	121.6439	5.015	14	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(CC[6a]HH){1|H<1>,1|N<3>,5|C<3>}	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|S<4>,2|H<1>,4|C<3>}	120.7150	0.000	1	120.7150	0.000	1	120.7150	0.000	1	121.6439	5.015	14	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CC[6a]HH){2|N<2>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	121.1815	0.460	2	121.1815	0.212	2	121.1815	0.212	2	121.6439	5.015	14	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:N-3:H-1:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CHHN)	C(C[6a]C[5a,6a]C[6a])(NCS)(H)2	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CHHN){5|C<3>}	C(C[6a]C[5a,6a]C[6a])(NCS)(H)2	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]C){1|H<1>,4|C<3>}	120.4463	1.436	4	120.4463	2.061	4	120.4463	2.061	4	121.6439	5.015	14	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:P-3:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHP)	C(C[6a]C[5a,6a]C[6a])(PCC)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHP){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(PCC)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	122.3000	0.000	1	122.3000	0.000	1	122.3000	0.000	1	121.6439	5.015	14	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:3:3:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:N[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CN[5a]2H)	C(C[6a]C[5a,6a]C[6a])(N[5a]C[5a]N[5a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CN[5a]2H){1|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(N[5a]C[5a]N[5a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	120.3025	3.413	2	120.3025	11.650	2	120.3025	11.650	2	120.3025	11.650	2	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[5a]-3:N-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CC[5a]HN)	C(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(NC[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CC[5a]HN){2|C<3>,2|N<2>}	C(C[6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(NC[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]){1|H<1>,2|C<3>}	117.9860	0.000	1	117.9860	0.000	1	117.9860	0.000	1	118.3880	0.323	2	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]HN)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]HN){1|H<1>,1|N<3>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(NCH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){2|H<1>,3|C<3>}	118.7900	0.000	1	118.7900	0.000	1	118.7900	0.000	1	118.3880	0.323	2	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:N-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHN)	C(C[6a]C[5a,6a]C[6a])(CCH)(NCH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHN){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(CCH)(NCH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,4|H<1>}	121.8430	1.394	2	121.8430	1.944	2	121.8430	1.944	2	120.4410	2.445	5	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CC[6a]2H)	C(C[6a]C[5a,6a]C[6a])3(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CC[6a]2H){1|O<2>,2|C<3>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])3(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,1|O<2>,2|H<1>}	119.5063	0.801	3	119.5063	0.642	3	119.5063	0.642	3	120.4410	2.445	5	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:3:4:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:N-3:C-4:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CCHN)	C(C[6a]C[5a,6a]C[6a])(NC[6a]H)(CCHH)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CCHN){1|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(NC[6a]H)(CCHH)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	121.7595	2.050	2	121.7595	4.202	2	121.7595	4.202	2	121.7595	4.202	2	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[5a]-3:C-4:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC[5a]CH)	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6,6]HH)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC[5a]CH){2|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6,6]HH)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	123.4460	0.000	1	123.4460	0.000	1	123.9400	0.488	2	122.3700	7.639	3	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[5a]-3:C-4:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC[5a]CH)	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6]HH)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC[5a]CH){2|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6]HH)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	124.4340	0.000	1	124.4340	0.000	1	123.9400	0.488	2	122.3700	7.639	3	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC[6a]CH)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(CHHN)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC[6a]CH){2|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(CHHN)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,1|O<2>,3|H<1>}	119.2300	0.000	1	119.2300	0.000	1	119.2300	0.000	1	122.3700	7.639	3	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:3:4:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[5a]-3:C-4:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC[5a]CO)	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6,6]HH)(OH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC[5a]CO){2|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6,6]HH)(OH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	120.5760	0.000	1	120.5760	0.000	1	120.5760	0.000	1	120.5760	0.000	1	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]C)(CCHH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]C)(CCHH){1|S<2>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]C){1|C<4>,4|C<3>}	118.3650	0.512	2	118.3650	0.262	2	119.0663	0.372	6	120.5254	2.591	12	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]C)(CCHH)	C(C[6a]C[5a,6a]C[6a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]C)(CCHH){1|S<2>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]C){1|C<4>,4|C<3>}	119.4170	0.202	4	119.4170	0.041	4	119.0663	0.372	6	120.5254	2.591	12	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:N-4:H-1:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHHN)	C(C[6a]C[5a,6a]C[6a])(NCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHHN){1|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(NCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	122.1730	0.167	2	122.1730	0.028	2	122.0577	0.035	4	120.5254	2.591	12	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:N-4:H-1:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHHN)	C(C[6a]C[5a,6a]C[6a])(NCuCC)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHHN){1|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(NCuCC)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	121.9425	0.156	2	121.9425	0.024	2	122.0577	0.035	4	120.5254	2.591	12	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:H-1:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CHHP)	C(C[6a]C[5a,6a]C[6a])(PC[6a]2O)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CHHP){1|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(PC[6a]2O)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	121.8380	0.959	2	121.8380	0.919	2	121.8380	0.919	2	120.5254	2.591	12	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5,6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[5])(CCHH)	C(C[6a]C[5a,6a]C[5,6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[5])(CCHH){2|H<1>,5|C<3>}	C(C[6a]C[5a,6a]C[5,6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]C)(O[5a]C[5a]){2|C<4>,3|C<3>}	123.0560	0.000	1	123.0560	0.000	1	123.0560	0.000	1	120.7924	4.133	16	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(CCHH)	C(C[6a]C[5a,6a]2)(CCHN)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(CCHH){1|H<1>,1|O<2>,4|C<3>}	C(C[6a]C[5a,6a]2)(CCHN)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(O[5a]C[5a]){1|Br<1>,2|C<3>,2|H<1>}	123.3300	0.000	1	123.3300	0.000	1	123.3300	0.000	1	120.7924	4.133	16	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(CCHH)	C(C[6a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(CCHH){1|H<1>,1|S<2>,4|C<3>}	C(C[6a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	121.4920	0.000	1	121.4920	0.000	1	118.8444	2.747	5	120.7924	4.133	16	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(CCHH)	C(C[6a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(S[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(CCHH){1|S<2>,5|C<3>}	C(C[6a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(S[5a]C[5a,6a]){1|C<4>,4|C<3>}	118.1825	0.861	4	118.1825	0.742	4	118.8444	2.747	5	120.7924	4.133	16	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|C<3>,1|C<4>,1|H<1>}	120.6548	0.385	4	120.6548	0.148	4	120.6548	0.148	4	120.7924	4.133	16	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]C)(CCHH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]C)(CCHH){1|S<2>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(S[5a]C[5a]){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	120.2420	0.000	1	120.0585	0.067	2	120.0585	0.067	2	120.7924	4.133	16	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]C)(CCHH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]C)(CCHH){1|S<2>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(S[5a]C[5a]){2|Br<1>,1|C<4>,2|C<3>}	119.8750	0.000	1	120.0585	0.067	2	120.0585	0.067	2	120.7924	4.133	16	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(CCHH)	C(C[6a]C[5a,6a]C[6a])(CClHH)(H)2	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(CCHH){1|C<4>,1|N<2>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(CClHH)(H)2	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	121.7780	0.000	1	121.7780	0.000	1	121.7780	0.000	1	120.7924	4.133	16	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(CC[6]HH)	C(C[6a]C[5a,6a]C[6a])(C[6]C[6,6]C[6]C)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(CC[6]HH){1|N<2>,1|O<2>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(C[6]C[6,6]C[6]C)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|O<2>,2|H<1>}	123.7780	0.058	2	123.7780	0.003	2	123.7780	0.003	2	120.7924	4.133	16	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(CCHH)	C(C[6a]C[5a,6a]C[5,6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[5,6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(CCHH){7|C<3>}	C(C[6a]C[5a,6a]C[5,6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[5,6a]C){1|C<4>,4|C<3>}	123.5140	0.000	1	123.5140	0.000	1	123.5140	0.000	1	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5,6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(CCHH)	C(C[6a]C[5a,6a]C[5,6a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]C)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(CCHH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C(C[6a]C[5a,6a]C[5,6a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]C)(N[5a]C[5a]C){1|H<1>,1|O<1>,2|C<3>}	126.5250	0.000	1	126.5250	0.000	1	126.5250	0.000	1	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(CCHH)	C(C[6a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(CCHH){1|H<1>,1|N<3>,5|C<3>}	C(C[6a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C){1|B<4>,1|H<1>,1|N<3>,4|C<3>}	124.9230	0.000	1	124.9230	0.000	1	124.9230	0.000	1	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)2(CCHH)	C(C[6a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]2)2(CCHH){1|N<3>,1|O<2>,5|C<3>}	C(C[6a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C){1|S<4>,2|H<1>,4|C<3>}	122.6740	0.304	2	122.6740	0.092	2	123.6240	5.167	8	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)2(CCHH)	C(C[6a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]2)2(CCHH){1|N<3>,1|O<2>,5|C<3>}	C(C[6a]C[5a,6a]2)(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C){2|H<1>,4|C<3>}	120.8200	0.396	2	120.8200	0.157	2	123.6240	5.167	8	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(CCHH)	C(C[6a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(CCHH){1|S<2>,5|C<3>}	C(C[6a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C){1|C<4>,1|F<1>,1|S<2>,3|C<3>}	126.0890	0.274	3	125.5010	1.433	4	123.6240	5.167	8	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(CCHH)	C(C[6a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(CCHH){1|S<2>,5|C<3>}	C(C[6a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	123.7370	0.000	1	125.5010	1.433	4	123.6240	5.167	8	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(CCHH)	C(C[6a]C[5a,6a]2)(CCHN)(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(CCHH){1|H<1>,1|O<2>,4|C<3>}	C(C[6a]C[5a,6a]2)(CCHN)(H)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C)(C[5a]C[5a]H){1|Br<1>,1|C<3>,1|H<1>,1|O<2>}	122.7030	0.000	1	122.7030	0.000	1	123.2675	0.637	2	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(CCHH)	C(C[6a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(CCHH){1|H<1>,1|S<2>,4|C<3>}	C(C[6a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C)(C[5a]C[5a]H){1|C<4>,1|S<2>,2|C<3>}	123.8320	0.000	1	123.8320	0.000	1	123.2675	0.637	2	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(CCHH)	C(C[6a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[6a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(CCHH){1|H<1>,1|N<3>,5|C<3>}	C(C[6a]C[5a,6a]2)(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[6a]C[5a,6a]C)(N[5a]C[5a,6a]H){5|C<3>}	119.8750	0.000	1	119.8750	0.000	1	119.8750	0.000	1	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(CCHH)	C(C[6a]C[5a,6a]C[6,6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C)(C[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(CCHH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|N<2>}	C(C[6a]C[5a,6a]C[6,6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]C)(C[5a]N[5a]C){1|C<4>,2|C<3>}	121.6240	1.061	2	121.6240	1.125	2	121.6240	1.125	2	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C(C[6a]C[5a,6a]C[6a,6a])(CH3)(H)2	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]C)(C[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C(C[6a]C[5a,6a]C[6a,6a])(CH3)(H)2	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]C)(C[5a]C[5a]H){1|O<1>,2|C<3>,2|H<1>}	115.0630	0.000	1	115.0630	0.000	1	115.0630	0.000	1	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[5a,6a]C)(CCHH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[5a,6a]C)(CCHH){2|S<2>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C){1|C<4>,1|S<2>,3|C<3>}	119.1725	1.358	2	119.1725	1.845	2	119.1725	1.845	2	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(CCHH)	C(C[6a]C[5a,6a]C[6a])(CHHN)(H)2	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(CCHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(CHHN)(H)2	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	124.0090	0.000	1	124.0090	0.000	1	124.0090	0.000	1	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]C)(CCHH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]C)(CCHH){1|S<2>,4|C<3>}	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	118.5957	0.054	3	118.5957	0.003	3	119.9585	3.064	10	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(CCHH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(CCHH){1|S<2>,4|C<3>}	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C){1|S<2>,2|H<1>,3|C<3>}	122.4420	0.000	1	122.4420	0.000	1	119.9585	3.064	10	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CCHH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CCHH){1|C<4>,1|N<3>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	119.2080	0.000	1	118.7900	0.134	3	119.9585	3.064	10	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CCHH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CCHH){1|N<3>,1|O<2>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,2|H<1>,4|C<3>}	118.5810	0.071	2	118.7900	0.134	3	119.9585	3.064	10	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CCHH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CCHH){1|C<4>,1|N<3>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	122.4630	0.000	1	121.3875	2.313	2	119.9585	3.064	10	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CCHH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CCHH){1|N<3>,1|O<2>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,2|H<1>,4|C<3>}	120.3120	0.000	1	121.3875	2.313	2	119.9585	3.064	10	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CCHH)	C(C[6a]C[5a,6a]C[6a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CCHH){1|C<4>,1|N<3>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	122.2110	0.000	1	122.2110	0.000	1	119.9585	3.064	10	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]C)(CCHH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]C)(CCHH){1|H<1>,1|S<2>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	117.7480	0.182	3	117.7480	0.033	3	121.2811	6.663	30	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(CCHH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(CCHH){1|H<1>,1|S<2>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,1|S<2>,2|H<1>}	119.2932	1.019	6	119.2932	1.038	6	121.2811	6.663	30	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CCHH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CCHH){1|H<1>,1|S<2>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|H<1>,3|C<3>}	120.2460	0.000	1	120.2460	0.000	1	121.2811	6.663	30	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]C){1|Cd<8>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	123.8956	0.999	7	123.6579	0.778	11	121.2811	6.663	30	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH){1|H<1>,1|N<2>,1|N<4>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]C){2|Cd<8>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	123.2420	0.484	4	123.6579	0.778	11	121.2811	6.663	30	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|C<4>,2|H<1>}	125.7620	0.000	1	125.7620	0.000	1	121.2811	6.663	30	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH)	C(C[6a]C[5a,6a]C[6a])(CF3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(CF3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|C<4>,3|H<1>}	123.6830	0.000	1	123.6830	0.000	1	121.2811	6.663	30	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH)	C(C[6a]C[5a,6a]C[6a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,4|H<1>}	120.7580	0.000	1	120.7580	0.000	1	121.2811	6.663	30	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH)	C(C[6a]C[5a,6a]C[6a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH){1|N<3>,2|C<3>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(CHHN)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,4|H<1>}	120.4240	0.000	1	120.4240	0.000	1	121.2811	6.663	30	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[5a,6a]C)(CCHH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[5a,6a]C)(CCHH){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	117.9060	0.716	2	117.9060	0.512	2	121.2811	6.663	30	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6,6a]H)(CCHH)	C(C[6a]C[5a,6a]C[6a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[6,6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6,6a]H)(CCHH){1|C<4>,1|O<2>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[6,6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	121.7350	0.481	2	121.7350	0.231	2	121.2811	6.663	30	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]C)(CCHH)	C(C[6a]C[5a,6a]C[6a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]C)(CCHH){1|S<2>,2|C<3>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	119.0390	0.000	1	119.0390	0.000	1	121.2811	6.663	30	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]P)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){1|C<4>,1|P<3>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]P){1|C<3>,4|H<1>}	125.9960	0.000	1	125.9960	0.000	1	123.4785	12.676	2	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	C(C[6a]C[5a,6a]C[6a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	120.9610	0.000	1	120.9610	0.000	1	123.4785	12.676	2	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CCHH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CCHH){1|C<4>,1|N<2>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	123.6955	0.610	2	123.6955	0.372	2	121.3173	3.166	13	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCHH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCHH){1|C<2>,1|C<4>,5|C<3>}	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|O<2>,4|C<3>}	120.9830	0.000	1	120.9830	0.000	1	121.3173	3.166	13	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CCHH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CCHH){2|C<4>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){2|C<4>,3|C<3>}	122.2557	0.942	3	122.2557	0.887	3	121.3173	3.166	13	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CCHH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CCHH){1|H<1>,1|O<2>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){1|C<4>,1|N<3>,3|C<3>}	119.6360	1.495	4	119.6360	2.236	4	121.3173	3.166	13	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CCHH)	C(C[6a]C[5a,6a]C[6a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CCHH){1|H<1>,1|S<4>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]C){2|C<4>,3|C<3>}	122.5300	0.000	1	122.5300	0.000	1	121.3173	3.166	13	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	C(C[6a]C[5a,6a]C[6a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(CH3)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	121.0910	0.000	1	121.0910	0.000	1	121.3173	3.166	13	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(CCHH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(CCHH){1|C<4>,5|C<3>}	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	119.8190	0.000	1	119.8190	0.000	1	121.3173	3.166	13	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	N[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]N[5a,6,6a]C[5a])(C[6a]C[6a,6a]C)(CCHH)	C(C[6a]C[5a,6a]C[6a])(CH3)(H)2	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6,6a]C[5a])(C[6a]C[6a,6a]C)(CCHH){1|H<1>,4|C<3>}	C(C[6a]C[5a,6a]C[6a])(CH3)(H)2	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	116.2460	0.000	1	116.2460	0.000	1	116.2460	0.000	1	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C)(CCHH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C)(CCHH){1|H<1>,4|C<3>}	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	115.3530	0.000	1	115.3530	0.000	1	118.7470	10.744	5	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(CCHH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(CCHH){1|C<4>,4|C<3>}	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]C){2|C<4>,3|C<3>}	119.3010	0.000	1	119.3010	0.000	1	118.7470	10.744	5	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(CCHH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(CCHH){2|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	117.5195	0.315	2	117.5195	0.099	2	118.7470	10.744	5	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH)	C(C[6a]C[5a,6a]C[6a])(CH3)(H)2	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	C(C[6a]C[5a,6a]C[6a])(CH3)(H)2	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	124.0420	0.000	1	124.0420	0.000	1	118.7470	10.744	5	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6]HH)	C(C[6a]C[5a,6a]C[6a])(C[6]C[6]2H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(C[6]C[6]2H)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]C){1|C<3>,2|C<4>,5|H<1>}	121.9310	0.000	1	121.9310	0.000	1	120.1485	6.355	2	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6]HH)	C(C[6a]C[5a,6a]C[6a])(C[6]C[6]2N)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(C[6]C[6]2N)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|S<4>,3|H<1>}	118.3660	0.000	1	118.3660	0.000	1	120.1485	6.355	2	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:N-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CHHN)	C(C[6a]C[5a,6a]C[6a])(NCCH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CHHN){1|Br<1>,1|N<3>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(NCCH)(H)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	125.2967	0.415	3	125.2967	0.172	3	125.2967	0.172	3	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHP)	C(C[6a]C[5a,6a]C[6a])(PC[3x6]2Fe)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Fe)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHP){1|Fe<4>,1|C<4>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(PC[3x6]2Fe)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Fe)(C[6a]C[6a]C){2|H<1>,3|C<3>}	123.8200	0.584	2	123.8200	0.341	2	122.8600	3.937	28	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHP)	C(C[6a]C[5a,6a]C[6a])(PC[6a]2Ni)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Ni)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHP){1|Ni<4>,1|C<4>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(PC[6a]2Ni)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Ni)(C[6a]C[6a]C){2|H<1>,3|C<3>}	121.2968	0.742	4	121.2968	0.551	4	122.8600	3.937	28	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHP)	C(C[6a]C[5a,6a]C[6a])(PC[6a]2Pd)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Pd)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHP){1|Pd<4>,1|C<4>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(PC[6a]2Pd)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Pd)(C[6a]C[6a]C){2|H<1>,3|C<3>}	120.6810	0.317	2	120.6810	0.100	2	122.8600	3.937	28	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHP)	C(C[6a]C[5a,6a]C[6a])(PFeCC)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Fe)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHP){1|Fe<4>,1|C<4>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(PFeCC)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Fe)(C[6a]C[6a]C){2|H<1>,3|C<3>}	122.7575	1.398	14	122.7575	1.953	14	122.8600	3.937	28	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHP)	C(C[6a]C[5a,6a]C[6a])(PLiCC)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Li)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHP){1|Li<3>,1|C<4>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(PLiCC)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Li)(C[6a]C[6a]C){2|H<1>,3|C<3>}	121.9645	0.117	2	121.9645	0.014	2	122.8600	3.937	28	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHP)	C(C[6a]C[5a,6a]C[6a])(PTiCC)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Ti)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHP){1|Ti<6>,1|C<4>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(PTiCC)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Ti)(C[6a]C[6a]C){2|H<1>,3|C<3>}	125.8392	2.609	4	125.8392	6.809	4	122.8600	3.937	28	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:P[5]-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CP[5]HH)	C(C[6a]C[5a,6a]C[6a])(P[5]C[5]2B)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CP[5]HH){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(P[5]C[5]2B)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	121.7240	2.297	2	121.7240	5.275	2	122.0145	2.146	4	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:P[5]-4:H-1:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CP[5]HH)	C(C[6a]C[5a,6a]C[6a])(P[5]C[5]2Ni)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Ni)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CP[5]HH){1|Ni<4>,1|C<4>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(P[5]C[5]2Ni)(H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Ni)(C[6a]C[6a]C){2|H<1>,3|C<3>}	122.3050	0.909	2	122.3050	0.827	2	122.0145	2.146	4	121.7579	6.916	118	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]B[5a])(C[6a]N[5a]N[6a])(CCHH)	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]N[5,5a]N[6a])(B[5a]N[5,5a]FF)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]B[5a])(C[6a]N[5a]N[6a])(CCHH){1|C<3>,2|F<1>,2|N<2>,2|N<3>}	C(C[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[5a,6a](C[5a,6a]N[5,5a]N[6a])(B[5a]N[5,5a]FF)(C[6a]C[6a]C){1|N<2>,1|N<3>,2|C<3>}	121.3220	0.000	1	121.3220	0.000	1	121.3220	0.000	1	121.3220	0.000	1	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCCH)	C(C[6a]C[5a,6a]C[6a])(CH3)(CC)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCCH){1|H<1>,1|S<2>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(CH3)(CC)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	118.6030	0.000	1	118.6030	0.000	1	118.6030	0.000	1	118.6030	0.000	1	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:N-4:C-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHN)	C(C[6a]C[5a,6a]C[6a])(NCHH)(CCH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHN){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(NCHH)(CCH)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,4|H<1>}	124.2770	0.000	1	124.2770	0.000	1	124.2770	0.000	1	124.2770	0.000	1	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5a,6a]C[6a])(CCCH)(COO)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC3){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(CCCH)(COO)2	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,2|C<4>,2|H<1>}	123.7435	0.954	2	123.7435	0.910	2	123.7435	0.910	2	123.7435	0.910	2	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5,6a]C)(CCCH)	C(C[6a]C[5a,6a]C[6a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(C[6a]C[6a]C)(S[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5,6a]C)(CCCH){1|C<4>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(C[6a]C[6a]C)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	122.4150	0.389	2	122.4150	0.151	2	122.4150	0.151	2	122.4150	0.151	2	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5,6a]C)(CCCH)	C(C[6a]C[5a,6a]C[6a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5,6a]C)(CCCH){1|C<4>,1|S<2>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]C){2|C<4>,4|C<3>}	119.9030	0.000	1	119.9030	0.000	1	119.9030	0.000	1	122.8927	6.861	3	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:S-4:C-4:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]O[6a]H)(CCHS)	C(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(CH3)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]O[6a]H)(CCHS){1|N<3>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(CH3)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	123.9910	0.000	1	123.9910	0.000	1	123.9910	0.000	1	122.8927	6.861	3	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:N[6a]-3:C-4:	C[6a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]N)(CCCH)	C(C[6a]C[5a,6a]N[6a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]N)(CCCH){1|N<2>,3|C<3>}	C(C[6a]C[5a,6a]N[6a])(CH3)2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]C){1|C<4>,1|N<2>,1|N<3>,3|C<3>}	124.7840	0.000	1	124.7840	0.000	1	124.7840	0.000	1	122.8927	6.861	3	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:4:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]O)(CC3)	C(C[6a]C[5a,6a]C[6a])(CH3)2(CCH)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]O)(CC3){4|C<3>}	C(C[6a]C[5a,6a]C[6a])(CH3)2(CCH)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,2|H<1>,2|O<2>}	120.7010	0.000	1	120.7010	0.000	1	120.7010	0.000	1	120.7010	0.000	1	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:4:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-3:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5a,6a]C[6a])(CH3)2(CCH)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(CC3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(CH3)2(CCH)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<3>,2|C<4>,5|H<1>}	119.8270	0.000	1	119.8270	0.000	1	119.8270	0.000	1	121.1120	3.302	2	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:4:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CC3)	C(C[6a]C[5a,6a]C[6a])(CH3)2(COO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CC3){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(CH3)2(COO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){3|H<1>,4|C<3>}	122.3970	0.000	1	122.3970	0.000	1	122.3970	0.000	1	121.1120	3.302	2	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:4:4:	3:2:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[5a,6a]H)(CC3)	C(C[6a]C[5a,6a]C[6a])(CH3)3	C[5a,6a](C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[5a,6a]H)(CC3){1|N<3>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(CH3)3	C[5a,6a](C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	122.6380	0.567	2	122.4377	0.226	4	122.6360	0.676	9	122.6360	0.676	9	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:4:4:	3:2:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[5a,6a]H)(CC3)	C(C[6a]C[5a,6a]C[6a])(CH3)3	C[5a,6a](C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[5a,6a]H)(CC3){1|O<2>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(CH3)3	C[5a,6a](C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	122.2375	0.443	2	122.4377	0.226	4	122.6360	0.676	9	122.6360	0.676	9	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:4:4:	3:2:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6,6a]H)(CC3)	C(C[6a]C[5a,6a]C[6a])(CH3)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(O[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6,6a]H)(CC3){1|O<2>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(CH3)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(O[5a]C[5a,6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	122.5920	0.016	2	122.5920	0.000	2	122.6360	0.676	9	122.6360	0.676	9	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:4:4:	3:2:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5a,6a]C[6a])(CH3)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC3){1|O<2>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(CH3)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	123.6560	1.068	2	123.6560	1.140	2	122.6360	0.676	9	122.6360	0.676	9	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:4:4:	3:2:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5a,6a]C[6a])(CH3)3	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC3){1|B<4>,1|C<3>,1|C<4>,1|O<2>}	C(C[6a]C[5a,6a]C[6a])(CH3)3	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]C){1|C<3>,1|O<2>,1|O<3>,2|H<1>}	121.4770	0.000	1	121.4770	0.000	1	122.6360	0.676	9	122.6360	0.676	9	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5a,6a,6a]-3:C[6a]-3:S[5a]-2:	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5a,6a]C[6a])(CH3)3	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]C)(S[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]H)(CC3){1|N<3>,1|S<2>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(CH3)3	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]C)(S[5a]S[5a]){1|H<1>,3|C<3>}	123.4990	0.000	1	123.4990	0.000	1	123.4990	0.000	1	122.4860	0.799	7	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]H)(CC3)	C(C[6a]C[5a,6a]C[6a])(CH3)3	C[5a,6a](C[5a,6a]C[5,6a]S[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]H)(CC3){1|C<3>,3|S<2>}	C(C[6a]C[5a,6a]C[6a])(CH3)3	C[5a,6a](C[5a,6a]C[5,6a]S[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<2>}	120.9020	0.000	1	120.9020	0.000	1	120.9020	0.000	1	122.4860	0.799	7	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5a,6a]C[6a])(CH3)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC3){1|C<4>,1|N<2>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(CH3)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	122.8397	0.608	3	122.6002	0.299	5	122.6002	0.299	5	122.4860	0.799	7	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5a,6a]C[6a])(CH3)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(O[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC3){1|C<4>,1|N<2>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(CH3)3	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(O[5a]C[5a]){2|C<3>,2|H<1>}	122.2410	0.167	2	122.6002	0.299	5	122.6002	0.299	5	122.4860	0.799	7	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a,6a]H)(CC3)	C(C[6a]C[5a,6a]C[6a])(CH3)3	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a]S[5a]N)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a,6a]H)(CC3){1|N<2>,1|S<2>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(CH3)3	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a]S[5a]N)(C[6a]C[6a]C){1|H<1>,3|C<3>}	126.0110	0.000	1	126.0110	0.000	1	126.0110	0.000	1	124.4322	2.643	12	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CC3)	C(C[6a]C[5a,6a]C[6a])(CH3)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CC3){1|H<1>,4|C<3>}	C(C[6a]C[5a,6a]C[6a])(CH3)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){1|H<1>,4|C<3>}	122.8790	0.000	1	122.8790	0.000	1	124.2887	2.635	11	124.4322	2.643	12	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5a,6a]C[6a])(CH3)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC3){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(CH3)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	122.3620	0.328	2	122.3620	0.108	2	124.2887	2.635	11	124.4322	2.643	12	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC3)	C(C[6a]C[5a,6a]C[6a])(CH3)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Zn)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC3){1|Zn<2>,1|C<4>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(CH3)3	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Zn)(C[6a]C[6a]C){2|H<1>,3|C<3>}	124.9466	1.382	8	124.9466	1.910	8	124.2887	2.635	11	124.4322	2.643	12	121.8953	4.157	610	122.1314	4.552	1339
643	490	727	0:SP2_SP2_SP3	C[6a]	C	C[5a,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C-4:C[6a]-3:	C[6a]-3:C[6a]-3:P[6]-4:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(CC[6a]P[6]H)(C[6a]O[6a]H)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(P[6]O[6]2O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(CC[6a]P[6]H)(C[6a]O[6a]H){1|N<3>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(P[6]O[6]2O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	121.2000	0.000	1	121.2000	0.000	1	121.2000	0.000	1	121.2000	0.000	1	121.8953	4.157	610	122.1314	4.552	1339
643	490	769	0:SP2_SP2_SP3	C[6a]	C	C[4,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[4,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]C)(CH3)	C(C[6a]C[4,6a]C[6a])(H)3	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]C)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]C)(CH3){1|C<4>,3|C<3>}	C(C[6a]C[4,6a]C[6a])(H)3	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]C){3|C<3>,3|C<4>}	123.3178	0.485	16	123.3178	0.235	16	123.3178	0.235	16	123.3178	0.235	16	123.4244	1.799	52	123.4445	1.685	58
643	490	769	0:SP2_SP2_SP3	C[6a]	C	C[4,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[4,6a]-3:C[4,6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a](C[4,6a]C[4,6a]C[4])2(CH3)	C(C[6a]C[4,6a]2)(H)3	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[4,6a]C)(C[4]C[4]CO)	C[6a](C[4,6a]C[4,6a]C[4])2(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6a]C[4,6a]2)(H)3	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[4,6a]C)(C[4]C[4]CO){1|C<3>,2|C<4>,2|H<1>}	125.7893	1.004	3	125.7893	1.007	3	124.7788	1.272	8	124.7788	1.272	8	123.4244	1.799	52	123.4445	1.685	58
643	490	769	0:SP2_SP2_SP3	C[6a]	C	C[4,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[4,6a]-3:C[4,6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a](C[4,6a]C[4,6a]C[4])2(CH3)	C(C[6a]C[4,6a]2)(H)3	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[4,6a]C)(C[4]C[4]HH)	C[6a](C[4,6a]C[4,6a]C[4])2(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6a]C[4,6a]2)(H)3	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[4,6a]C)(C[4]C[4]HH){1|C<3>,1|O<2>,3|C<4>}	123.9273	0.847	3	124.1724	0.497	5	124.7788	1.272	8	124.7788	1.272	8	123.4244	1.799	52	123.4445	1.685	58
643	490	769	0:SP2_SP2_SP3	C[6a]	C	C[4,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[4,6a]-3:C[4,6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a](C[4,6a]C[4,6a]C[4])2(CH3)	C(C[6a]C[4,6a]2)(H)3	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[4,6a]C)(C[4]C[4]HH)	C[6a](C[4,6a]C[4,6a]C[4])2(CH3){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[4,6a]2)(H)3	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[4,6a]C)(C[4]C[4]HH){1|O<2>,2|C<3>,2|C<4>}	124.5400	0.321	2	124.1724	0.497	5	124.7788	1.272	8	124.7788	1.272	8	123.4244	1.799	52	123.4445	1.685	58
643	490	769	0:SP2_SP2_SP3	C[6a]	C	C[4,6a]	3:3:4:	3:1:1:1:	3:4:3:	C[4,6a]-3:C[4,6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[4,6a]-3:C[4]-4:C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])2(CH3)	C(C[6a]C[4,6a]2)(H)3	C[4,6a](C[4,6a]C[6a]C[4])(C[4]C[6a]C[4]O)(C[6a]C[4,6a]C)	C[6a](C[4,6a]C[4,6a]C[4])2(CH3){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[4,6a]2)(H)3	C[4,6a](C[4,6a]C[6a]C[4])(C[4]C[6a]C[4]O)(C[6a]C[4,6a]C){2|C<4>,2|H<1>,3|C<3>}	125.1855	0.062	2	125.1855	0.004	2	125.1855	0.004	2	125.1855	0.004	2	123.4244	1.799	52	123.4445	1.685	58
643	490	769	0:SP2_SP2_SP3	C[6a]	C	C[4,6a]	3:3:4:	3:1:1:1:	4:3:3:	C[4,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[4,5,6]-4:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,5,6]C[4,6a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[4,6a]C[6a])(H)3	C[4,6a](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[4,6a]C[4,5,6]C[6a])(C[6a]C[6a]C)	C[6a](C[4,6a]C[4,5,6]C[4,6a])(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[4,6a]C[6a])(H)3	C[4,6a](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[4,6a]C[4,5,6]C[6a])(C[6a]C[6a]C){1|C<3>,3|H<1>,4|C<4>}	123.6085	0.546	4	123.6085	0.299	4	123.6085	0.299	4	123.6430	0.192	6	123.4244	1.799	52	123.4445	1.685	58
643	490	769	0:SP2_SP2_SP3	C[6a]	C	C[4,6a]	3:3:4:	3:1:1:1:	4:3:3:	C[4,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[4,6]-4:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]C)(CH3)	C(C[6a]C[4,6a]C[6a])(H)3	C[4,6a](C[4,6]C[4,6]C[6]Cr)(C[4,6a]C[4,6]C[6a])(C[6a]C[6a]C)	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]C)(CH3){1|Cr<9>,1|C<3>,3|C<4>}	C(C[6a]C[4,6a]C[6a])(H)3	C[4,6a](C[4,6]C[4,6]C[6]Cr)(C[4,6a]C[4,6]C[6a])(C[6a]C[6a]C){1|C<3>,5|C<4>}	123.7120	0.225	2	123.7120	0.051	2	123.7120	0.051	2	123.6430	0.192	6	123.4244	1.799	52	123.4445	1.685	58
643	490	769	0:SP2_SP2_SP3	C[6a]	C	C[4,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[4,6a]-3:C[6a]-3:C-4:	C[6a]-3:N[5a]-3:H-1:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]C)(CN[5a]HH)	C(C[6a]C[4,6a]C[6a])(N[5a]C[5a]N[5a])(H)2	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]C)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]C)(CN[5a]HH){1|C<4>,3|C<3>}	C(C[6a]C[4,6a]C[6a])(N[5a]C[5a]N[5a])(H)2	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]C){3|C<3>,3|C<4>}	122.0162	0.612	4	122.0162	0.375	4	122.0162	0.375	4	122.0162	0.375	4	123.4244	1.799	52	123.4445	1.685	58
643	490	769	0:SP2_SP2_SP3	C[6a]	C	C[4,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[4,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[4,6a]-3:C[6a]-3:Se[4]-2:	C[6a](C[4,6a]C[4,6a]Se[4])(C[6a]C[6a]C)(CCHH)	C(C[6a]C[4,6a]C[6a])(CH3)(H)2	C[4,6a](C[4,6a]C[6a]Se[4])(C[6a]C[6a]C)(Se[4]Se[4])	C[6a](C[4,6a]C[4,6a]Se[4])(C[6a]C[6a]C)(CCHH){1|Se<2>,1|C<2>,1|C<3>}	C(C[6a]C[4,6a]C[6a])(CH3)(H)2	C[4,6a](C[4,6a]C[6a]Se[4])(C[6a]C[6a]C)(Se[4]Se[4]){1|C<2>,1|C<3>,1|C<4>}	122.6785	0.928	2	122.6785	0.862	2	122.6785	0.862	2	122.6785	0.862	2	123.4244	1.799	52	123.4445	1.685	58
643	490	769	0:SP2_SP2_SP3	C[6a]	C	C[4,6a]	3:3:4:	3:4:4:1:	3:4:3:	C[4,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:H-1:	C[4,6a]-3:C[4]-4:C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(CCCH)	C(C[6a]C[4,6a]C[6a])(CH3)2(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[4]C[6a]C[4]O)(C[6a]C[6a]C)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(CCCH){1|O<2>,2|C<3>,2|C<4>}	C(C[6a]C[4,6a]C[6a])(CH3)2(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[4]C[6a]C[4]O)(C[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	122.8312	0.961	4	122.8312	0.923	4	122.8312	0.923	4	122.4032	1.037	6	123.4244	1.799	52	123.4445	1.685	58
643	490	769	0:SP2_SP2_SP3	C[6a]	C	C[4,6a]	3:3:4:	3:4:4:1:	3:4:3:	C[4,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:H-1:	C[4,6a]-3:Si[4]-4:C[6a]-3:	C[6a](C[4,6a]C[4,6a]Si[4])(C[6a]C[6a]H)(CCCH)	C(C[6a]C[4,6a]C[6a])(CH3)2(H)	C[4,6a](C[4,6a]C[6a]C[4])(Si[4]C[6a]C[4]C)(C[6a]C[6a]C)	C[6a](C[4,6a]C[4,6a]Si[4])(C[6a]C[6a]H)(CCCH){2|C<4>,3|C<3>}	C(C[6a]C[4,6a]C[6a])(CH3)2(H)	C[4,6a](C[4,6a]C[6a]C[4])(Si[4]C[6a]C[4]C)(C[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	121.8750	0.000	1	121.8750	0.000	1	121.8750	0.000	1	122.4032	1.037	6	123.4244	1.799	52	123.4445	1.685	58
643	490	769	0:SP2_SP2_SP3	C[6a]	C	C[4,6a]	3:3:4:	3:4:4:1:	3:4:3:	C[4,6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:Si-4:H-1:	C[4,6a]-3:Si[4]-4:C[6a]-3:	C[6a](C[4,6a]C[4,6a]Si[4])(C[6a]C[6a]H)(CSi2H)	C(C[6a]C[4,6a]C[6a])(SiC3)2(H)	C[4,6a](C[4,6a]C[6a]C[4])(Si[4]C[4]SiH)(C[6a]C[6a]C)	C[6a](C[4,6a]C[4,6a]Si[4])(C[6a]C[6a]H)(CSi2H){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[4,6a]C[6a])(SiC3)2(H)	C[4,6a](C[4,6a]C[6a]C[4])(Si[4]C[4]SiH)(C[6a]C[6a]C){2|Si<4>,1|C<3>,2|H<1>}	121.2190	0.000	1	121.2190	0.000	1	121.2190	0.000	1	122.4032	1.037	6	123.4244	1.799	52	123.4445	1.685	58
643	490	769	0:SP2_SP2_SP3	C[6a]	C	C[4,6a]	3:3:4:	3:4:4:1:	5:3:3:	C[4,6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:Si-4:H-1:	Si[4,6]-5:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]Si[4,6])(C[6a]C[6a]H)(CSi2H)	C(C[6a]C[4,6a]C[6a])(SiC3)2(H)	C[4,6a](Si[4,6]C[4]C[6]2Li)(C[4,6a]C[6a]C[4])(C[6a]C[6a]C)	C[6a](C[4,6a]C[4,6a]Si[4,6])(C[6a]C[6a]H)(CSi2H){1|Li<8>,1|C<3>,4|C<4>}	C(C[6a]C[4,6a]C[6a])(SiC3)2(H)	C[4,6a](Si[4,6]C[4]C[6]2Li)(C[4,6a]C[6a]C[4])(C[6a]C[6a]C){2|Si<4>,1|C<3>,2|C<4>,4|H<1>}	120.6695	0.035	2	120.6695	0.001	2	120.6695	0.001	2	120.6695	0.001	2	123.4244	1.799	52	123.4445	1.685	58
643	490	769	0:SP2_SP2_SP3	C[6a]	C	C[4,6a]	3:3:4:	3:4:4:2:	3:4:3:	C[4,6a]-3:C[5,6a]-3:C-4:	C[6a]-3:C-4:C-4:O-2:	C[4,6a]-3:C[4,6,6]-4:C[6a]-3:	C[6a](C[4,6a]C[4,6,6]C[4,6a])(C[5,6a]C[5,6a]C[5])(CCCO)	C(C[6a]C[4,6a]C[5,6a])(CH3)2(OH)	C[4,6a](C[4,6a]C[4,6,6]C[6a])(C[4,6,6]C[4,6,6]2O)(C[6a]C[5,6a]C)	C[6a](C[4,6a]C[4,6,6]C[4,6a])(C[5,6a]C[5,6a]C[5])(CCCO){1|C<3>,1|O<1>,2|O<2>,3|C<4>}	C(C[6a]C[4,6a]C[5,6a])(CH3)2(OH)	C[4,6a](C[4,6a]C[4,6,6]C[6a])(C[4,6,6]C[4,6,6]2O)(C[6a]C[5,6a]C){2|C<4>,3|C<3>,3|H<1>}	124.5060	0.000	1	124.5060	0.000	1	124.5060	0.000	1	124.5060	0.000	1	123.4244	1.799	52	123.4445	1.685	58
643	490	769	0:SP2_SP2_SP3	C[6a]	C	C[4,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[4,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[4,6a]-3:C[6a]-3:P[4]-3:	C[6a](C[4,6a]C[4,6a]P[4])(C[6a]C[6a]H)(CC3)	C(C[6a]C[4,6a]C[6a])(CH3)3	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]C)(P[4]C[4]C)	C[6a](C[4,6a]C[4,6a]P[4])(C[6a]C[6a]H)(CC3){1|C<4>,3|C<3>}	C(C[6a]C[4,6a]C[6a])(CH3)3	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]C)(P[4]C[4]C){2|C<3>,2|H<1>}	122.9890	2.066	2	122.9890	4.269	2	122.9890	4.269	2	122.9890	4.269	2	123.4244	1.799	52	123.4445	1.685	58
643	490	769	0:SP2_SP2_SP3	C[6a]	C	C[4,6a]	3:3:4:	3:4:4:4:	3:3:4:	C[4,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[4,6a]-3:C[6a]-3:P[4]-4:	C[6a](C[4,6a]C[4,6a]P[4])(C[6a]C[6a]H)(CC3)	C(C[6a]C[4,6a]C[6a])(CH3)3	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]C)(P[4]C[4]HW)	C[6a](C[4,6a]C[4,6a]P[4])(C[6a]C[6a]H)(CC3){1|C<4>,1|H<1>,1|W<6>,2|C<3>}	C(C[6a]C[4,6a]C[6a])(CH3)3	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]C)(P[4]C[4]HW){2|C<3>,2|H<1>}	124.2480	1.877	2	124.2480	3.522	2	124.2480	3.522	2	124.2480	3.522	2	123.4244	1.799	52	123.4445	1.685	58
643	490	769	0:SP2_SP2_SP3	C[6a]	C	C[4,6a]	3:3:4:	3:4:4:4:	3:4:3:	C[4,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:C-4:	C[4,6a]-3:P[4]-4:C[6a]-3:	C[6a](C[4,6a]C[4,6a]P[4])(C[6a]C[6a]H)(CC3)	C(C[6a]C[4,6a]C[6a])(CH3)3	C[4,6a](C[4,6a]C[6a]C[4])(P[4]C[4]RuC)(C[6a]C[6a]C)	C[6a](C[4,6a]C[4,6a]P[4])(C[6a]C[6a]H)(CC3){1|Ru<9>,1|C<4>,3|C<3>}	C(C[6a]C[4,6a]C[6a])(CH3)3	C[4,6a](C[4,6a]C[6a]C[4])(P[4]C[4]RuC)(C[6a]C[6a]C){2|C<3>,2|H<1>}	126.3640	0.000	1	126.3640	0.000	1	126.3640	0.000	1	126.3640	0.000	1	123.4244	1.799	52	123.4445	1.685	58
643	490	769	0:SP2_SP2_SP3	C[6a]	C	C[4a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[4a,6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[4a,6a]-3:C[4a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4a,6a]C[4a,6a]2)(CH3)	C(C[6a]C[4a,6a]C[6a,6a])(H)3	C[4a,6a](C[4a,6a]C[4a,6a]C[6a,6a])(C[4a,6a]C[4a,6a]C[6a])(C[6a]C[6a,6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4a,6a]C[4a,6a]2)(CH3){1|H<1>,5|C<3>}	C(C[6a]C[4a,6a]C[6a,6a])(H)3	C[4a,6a](C[4a,6a]C[4a,6a]C[6a,6a])(C[4a,6a]C[4a,6a]C[6a])(C[6a]C[6a,6a]C){1|C<4>,5|C<3>}	124.6915	0.305	2	124.6915	0.093	2	123.6185	0.828	6	123.6185	0.828	6	123.6185	0.828	6	123.4445	1.685	58
643	490	769	0:SP2_SP2_SP3	C[6a]	C	C[4a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[4a,6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[4a,6a]-3:C[4a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4a,6a]C[4a,6a]2)(CH3)	C(C[6a]C[4a,6a]C[6a,6a])(H)3	C[4a,6a](C[4a,6a]C[4a,6a]C[6a])2(C[6a]C[6a,6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4a,6a]C[4a,6a]2)(CH3){1|H<1>,5|C<3>}	C(C[6a]C[4a,6a]C[6a,6a])(H)3	C[4a,6a](C[4a,6a]C[4a,6a]C[6a])2(C[6a]C[6a,6a]C){1|C<4>,1|H<1>,4|C<3>}	123.0820	0.445	4	123.0820	0.198	4	123.6185	0.828	6	123.6185	0.828	6	123.6185	0.828	6	123.4445	1.685	58
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5,6a]	3:3:4:	3:1:1:1:	3:3:2:	N[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a](N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C(C[6a]N[5,6a]C[6a])(H)3	N[5,6a](C[5,6a]N[5,6]N[6a])(C[6a]C[6a]C)(N[5]C[5,6])	C[6a](N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C(C[6a]N[5,6a]C[6a])(H)3	N[5,6a](C[5,6a]N[5,6]N[6a])(C[6a]C[6a]C)(N[5]C[5,6]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	118.7800	0.000	1	118.7800	0.000	1	118.5517	0.026	6	118.2689	0.319	8	118.3866	1.942	15	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5,6a]	3:3:4:	3:1:1:1:	3:3:2:	N[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a](N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C(C[6a]N[5,6a]C[6a])(H)3	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]C)(N[5]C[5])	C[6a](N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C(C[6a]N[5,6a]C[6a])(H)3	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]C)(N[5]C[5]){1|C<3>,3|H<1>}	118.5060	0.132	5	118.5060	0.017	5	118.5517	0.026	6	118.2689	0.319	8	118.3866	1.942	15	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5,6a]	3:3:4:	3:1:1:1:	3:3:2:	N[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a](N[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CH3)	C(C[6a]N[5,6a]C[6a])(H)3	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(S[5]C[5])	C[6a](N[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,2|C<3>}	C(C[6a]N[5,6a]C[6a])(H)3	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(S[5]C[5]){1|C<3>,1|N<2>,2|H<1>}	117.4205	0.426	2	117.4205	0.182	2	117.4205	0.182	2	118.2689	0.319	8	118.3866	1.942	15	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5,6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5,6a]C[5,6a]B[5])(CH3)	C(C[6a]C[5a,6a]N[5,6a])(H)3	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]C)(B[5]C[6a]C[5])	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5,6a]C[5,6a]B[5])(CH3){1|B<3>,6|C<3>}	C(C[6a]C[5a,6a]N[5,6a])(H)3	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]C)(B[5]C[6a]C[5]){1|C<4>,1|N<3>,5|C<3>}	115.7250	0.000	1	115.7250	0.000	1	115.7250	0.000	1	118.9852	5.692	4	118.3866	1.942	15	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	N[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CH3)	C(C[6a]N[5,6a]C[6a])(H)3	N[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]N[6a]N[5])(C[6a]C[6a]C)	C[6a](N[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CH3){1|C<4>,1|N<3>,3|N<2>}	C(C[6a]N[5,6a]C[6a])(H)3	N[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]N[6a]N[5])(C[6a]C[6a]C){1|C<3>,1|H<1>,2|C<4>}	120.7435	0.446	2	120.7435	0.199	2	120.7435	0.199	2	118.9852	5.692	4	118.3866	1.942	15	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5,6a]	3:3:4:	3:1:1:1:	3:3:3:	N[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C(C[6a]N[5,6a]C[6a])(H)3	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]N[5]Rh)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|Rh<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C(C[6a]N[5,6a]C[6a])(H)3	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]N[5]Rh){2|C<3>,2|H<1>}	118.7290	0.000	1	118.7290	0.000	1	118.7290	0.000	1	118.9852	5.692	4	118.3866	1.942	15	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	N[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCHH)	C(C[6a]N[5,6a]C[6a])(CCHH)(H)2	N[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]H)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6a]N[5,6a]C[6a])(CCHH)(H)2	N[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]H){1|C<4>,1|H<1>,2|C<3>}	116.0030	0.000	1	116.0030	0.000	1	117.9023	2.816	3	117.9023	2.816	3	118.3866	1.942	15	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	N[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHH)	C(C[6a]N[5,6a]C[6a])(CC[6a]HH)(H)2	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]Rh)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHH){1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	C(C[6a]N[5,6a]C[6a])(CC[6a]HH)(H)2	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]Rh){1|C<3>,2|C<4>,2|H<1>}	118.8520	0.470	2	118.8520	0.220	2	117.9023	2.816	3	117.9023	2.816	3	118.3866	1.942	15	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:2:4:	3:1:1:1:	3:3:2:	N[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(CH3)	C(C[6a]N[5a,6a]N[6a])(H)3	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(CH3){1|C<3>,1|N<3>,2|N<2>}	C(C[6a]N[5a,6a]N[6a])(H)3	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(N[5a]N[5a]){2|C<3>}	118.0330	0.416	2	118.0330	0.173	2	118.0330	0.173	2	118.0330	0.173	2	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	N[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:F-1:F-1:F-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(CF3)	C(C[6a]N[5a,6a]N[6a])(F)3	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(CF3){5|C<3>}	C(C[6a]N[5a,6a]N[6a])(F)3	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C){1|C<4>,1|H<1>,4|C<3>}	120.2280	0.000	1	120.2280	0.000	1	120.2280	0.000	1	119.6085	0.530	4	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	N[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CH3)	C(C[6a]N[5a,6a]N[6a])(H)3	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(CH3){1|N<2>,4|C<3>}	C(C[6a]N[5a,6a]N[6a])(H)3	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]C){5|C<3>}	119.7925	0.404	2	119.7925	0.163	2	119.4020	0.539	3	119.6085	0.530	4	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:2:4:	3:1:1:1:	3:3:3:	N[5a,6a]-3:N[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(CH3)	C(C[6a]N[5a,6a]N[6a])(H)3	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]N[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(CH3){2|N<2>,3|C<3>}	C(C[6a]N[5a,6a]N[6a])(H)3	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]N[6a]C){1|H<1>,3|C<3>}	118.6210	0.000	1	118.6210	0.000	1	119.4020	0.539	3	119.6085	0.530	4	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	N[5a,6a]-3:C[6,6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(CH3)	C(C[6a]N[5a,6a]C[6,6a])(H)3	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6,6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(CH3){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C(C[6a]N[5a,6a]C[6,6a])(H)3	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6,6a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	116.3267	0.780	3	116.3267	0.608	3	116.3267	0.608	3	117.6505	0.646	45	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:Cl-1:Cl-1:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCl3)	C(C[6a]N[5a,6a]C[6a])(Cl)3	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCl3){1|C<4>,1|N<2>,2|C<3>}	C(C[6a]N[5a,6a]C[6a])(Cl)3	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	118.3660	0.000	1	118.2420	0.118	5	118.2420	0.118	5	117.6505	0.646	45	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:Cl-1:Cl-1:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCl3)	C(C[6a]N[5a,6a]C[6a])(Cl)3	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCl3){1|C<4>,1|N<2>,2|C<3>}	C(C[6a]N[5a,6a]C[6a])(Cl)3	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	118.3310	0.303	2	118.2420	0.118	5	118.2420	0.118	5	117.6505	0.646	45	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:Cl-1:Cl-1:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCl3)	C(C[6a]N[5a,6a]C[6a])(Cl)3	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCl3){1|H<1>,1|N<2>,2|C<3>}	C(C[6a]N[5a,6a]C[6a])(Cl)3	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	117.7020	0.000	1	118.2420	0.118	5	118.2420	0.118	5	117.6505	0.646	45	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:Cl-1:Cl-1:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCl3)	C(C[6a]N[5a,6a]C[6a])(Cl)3	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCl3){1|H<1>,1|N<2>,2|C<3>}	C(C[6a]N[5a,6a]C[6a])(Cl)3	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	118.4800	0.000	1	118.2420	0.118	5	118.2420	0.118	5	117.6505	0.646	45	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:F-1:F-1:F-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CF3)	C(C[6a]N[5a,6a]C[6a])(F)3	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CF3){1|N<2>,3|C<3>}	C(C[6a]N[5a,6a]C[6a])(F)3	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	117.6532	0.913	4	117.8627	0.618	6	117.8627	0.618	6	117.6505	0.646	45	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:F-1:F-1:F-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CF3)	C(C[6a]N[5a,6a]C[6a])(F)3	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CF3){1|N<2>,3|C<3>}	C(C[6a]N[5a,6a]C[6a])(F)3	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	118.4560	0.000	1	117.8627	0.618	6	117.8627	0.618	6	117.6505	0.646	45	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:F-1:F-1:F-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CF3)	C(C[6a]N[5a,6a]C[6a])(F)3	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CF3){1|N<2>,3|C<3>}	C(C[6a]N[5a,6a]C[6a])(F)3	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|H<1>,3|C<3>}	118.1070	0.000	1	117.8627	0.618	6	117.8627	0.618	6	117.6505	0.646	45	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3)	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3){1|H<1>,1|N<2>,2|C<3>}	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<2>,1|H<1>,2|C<3>}	116.3510	0.000	1	116.6720	1.371	3	117.6421	0.545	31	117.6505	0.646	45	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3)	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3){1|N<2>,3|C<3>}	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,2|C<4>}	116.8325	1.609	2	116.6720	1.371	3	117.6421	0.545	31	117.6505	0.646	45	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3)	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,2|N<2>}	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>}	116.7655	0.428	2	117.3115	0.658	4	117.6421	0.545	31	117.6505	0.646	45	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3)	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,2|N<2>}	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<2>,1|C<3>,1|H<1>}	118.4040	0.000	1	117.3115	0.658	4	117.6421	0.545	31	117.6505	0.646	45	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3)	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3){2|C<3>,2|N<2>}	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|H<1>,2|C<3>}	117.3110	0.000	1	117.3115	0.658	4	117.6421	0.545	31	117.6505	0.646	45	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|N<2>,2|C<3>}	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<2>,1|C<3>,1|H<1>,1|N<3>}	117.6540	0.071	2	117.7897	0.058	3	117.6421	0.545	31	117.6505	0.646	45	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|N<2>,3|C<3>}	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	118.0610	0.000	1	117.7897	0.058	3	117.6421	0.545	31	117.6505	0.646	45	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,2|N<2>}	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>}	118.0540	0.000	1	117.8800	0.323	20	117.6421	0.545	31	117.6505	0.646	45	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,2|N<2>}	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|O<2>}	118.4615	0.159	2	117.8800	0.323	20	117.6421	0.545	31	117.6505	0.646	45	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,2|N<2>}	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|S<2>}	118.2140	0.000	1	117.8800	0.323	20	117.6421	0.545	31	117.6505	0.646	45	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,2|N<2>}	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,2|H<1>}	117.7875	0.603	15	117.8800	0.323	20	117.6421	0.545	31	117.6505	0.646	45	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	117.5960	0.000	1	117.8800	0.323	20	117.6421	0.545	31	117.6505	0.646	45	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:1:1:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|N<3>,1|O<1>,2|N<2>}	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]N[5a]){1|C<3>,2|H<1>}	116.6750	0.000	1	116.6750	0.000	1	117.6421	0.545	31	117.6505	0.646	45	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C-4:	C[6a]-3:F-1:F-1:F-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[5a,6a]C[5a,6a]2)(CF3)	C(C[6a]C[5a,6a]N[5a,6a])(F)3	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(N[5a,6a]C[5a,6a]2)(CF3){1|N<2>,1|N<3>,5|C<3>}	C(C[6a]C[5a,6a]N[5a,6a])(F)3	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C){1|H<1>,5|C<3>}	117.3900	0.000	1	117.3900	0.000	1	118.0735	0.934	2	118.9332	2.308	28	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C-4:	C[6a]-3:F-1:F-1:F-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[5a,6a]2)(CF3)	C(C[6a]C[5a,6a]N[5a,6a])(F)3	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[5a,6a]2)(CF3){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C(C[6a]C[5a,6a]N[5a,6a])(F)3	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C){1|H<1>,5|C<3>}	118.7570	0.000	1	118.7570	0.000	1	118.0735	0.934	2	118.9332	2.308	28	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N[5a,6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(CH3)	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(CH3){1|N<2>,6|C<3>}	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C){6|C<3>}	118.7030	0.000	1	118.7030	0.000	1	118.7030	0.000	1	118.9332	2.308	28	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a,6a]-3:C[5,6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[5,6a]N[5,6a]C[5])(CH3)	C(C[6a]N[5a,6a]C[5,6a])(H)3	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]C[5a]C[6a])(C[6a]C[5,6a]C)	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[5,6a]N[5,6a]C[5])(CH3){1|B<3>,6|C<3>}	C(C[6a]N[5a,6a]C[5,6a])(H)3	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]C[5a]C[6a])(C[6a]C[5,6a]C){1|C<4>,1|N<3>,5|C<3>}	115.3110	0.000	1	115.3110	0.000	1	115.3110	0.000	1	118.9332	2.308	28	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:F-1:F-1:F-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(CF3)	C(C[6a]N[5a,6a]C[6a])(F)3	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(CF3){5|C<3>}	C(C[6a]N[5a,6a]C[6a])(F)3	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C){3|H<1>,4|C<3>}	119.6410	0.000	1	119.6410	0.000	1	119.6410	0.000	1	118.9332	2.308	28	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(CH3)	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(CH3){1|N<2>,4|C<3>}	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C){2|H<1>,4|C<3>}	118.4555	0.166	2	118.4555	0.028	2	118.5810	1.299	5	118.9332	2.308	28	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CH3)	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CH3){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	116.9390	0.000	1	116.9390	0.000	1	118.5810	1.299	5	118.9332	2.308	28	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]N[5a,6a]H)(CH3)	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]N[5a,6a]H)(CH3){1|N<2>,4|C<3>}	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|N<3>,2|H<1>,3|C<3>}	119.5275	0.807	2	119.5275	0.651	2	118.5810	1.299	5	118.9332	2.308	28	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C)(CH3)	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C)(CH3){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,3|C<3>}	115.6200	0.000	1	115.6200	0.000	1	119.3012	2.234	18	118.9332	2.308	28	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CH3)	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CH3){5|C<3>}	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|H<1>,4|C<3>}	118.8260	0.000	1	119.1375	0.194	2	119.3012	2.234	18	118.9332	2.308	28	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CH3)	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CH3){5|C<3>}	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	119.4490	0.000	1	119.1375	0.194	2	119.3012	2.234	18	118.9332	2.308	28	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<2>,1|H<1>,3|C<3>}	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C){2|C<3>,3|H<1>}	119.6350	0.000	1	120.2451	0.397	7	119.3012	2.234	18	118.9332	2.308	28	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|Br<1>,1|C<2>,1|C<3>,2|H<1>}	119.9423	0.267	3	120.2451	0.397	7	119.3012	2.234	18	118.9332	2.308	28	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	121.1710	0.000	1	120.2451	0.397	7	119.3012	2.234	18	118.9332	2.308	28	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C){2|C<3>,3|H<1>}	120.5415	0.746	2	120.2451	0.397	7	119.3012	2.234	18	118.9332	2.308	28	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C){1|I<1>,2|H<1>,3|C<3>}	119.7163	0.437	4	119.7163	0.191	4	119.3012	2.234	18	118.9332	2.308	28	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,1|C<4>,2|H<1>}	117.0950	0.000	1	116.7605	0.224	2	119.3012	2.234	18	118.9332	2.308	28	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){2|C<3>,2|H<1>}	116.4260	0.000	1	116.7605	0.224	2	119.3012	2.234	18	118.9332	2.308	28	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]C){2|C<3>,2|H<1>}	120.3570	0.000	1	120.3570	0.000	1	119.3012	2.234	18	118.9332	2.308	28	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:1:1:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|N<3>,1|O<1>,2|N<2>}	C(C[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C){1|C<3>,2|H<1>}	119.0680	0.000	1	119.0680	0.000	1	119.3012	2.234	18	118.9332	2.308	28	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:2:1:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	C(C[6a]N[5a,6a]C[6a])(CN)(H)2	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){1|C<4>,3|C<3>}	C(C[6a]N[5a,6a]C[6a])(CN)(H)2	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	113.6680	0.000	1	113.6680	0.000	1	113.6680	0.000	1	114.1960	0.558	2	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:2:1:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CHHO)	C(C[6a]N[5a,6a]C[6a])(OC)(H)2	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CHHO){4|C<3>}	C(C[6a]N[5a,6a]C[6a])(OC)(H)2	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a]){2|H<1>,3|C<3>}	114.7240	0.000	1	114.7240	0.000	1	114.7240	0.000	1	114.1960	0.558	2	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	C(C[6a]N[5a,6a]C[6a])(CNO)(H)2	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){1|C<4>,1|N<2>,2|C<3>}	C(C[6a]N[5a,6a]C[6a])(CNO)(H)2	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	118.8120	0.000	1	118.8120	0.000	1	117.5585	3.935	4	117.5585	3.935	4	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	C(C[6a]N[5a,6a]C[6a])(CNO)(H)2	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,2|N<2>}	C(C[6a]N[5a,6a]C[6a])(CNO)(H)2	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>}	114.6130	0.000	1	114.6130	0.000	1	117.5585	3.935	4	117.5585	3.935	4	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	C(C[6a]N[5a,6a]C[6a])(COO)(H)2	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,2|N<2>}	C(C[6a]N[5a,6a]C[6a])(COO)(H)2	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>}	118.6560	0.000	1	118.4045	0.127	2	117.5585	3.935	4	117.5585	3.935	4	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:3:1:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	C(C[6a]N[5a,6a]C[6a])(COO)(H)2	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){2|C<3>,2|N<2>}	C(C[6a]N[5a,6a]C[6a])(COO)(H)2	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,2|H<1>}	118.1530	0.000	1	118.4045	0.127	2	117.5585	3.935	4	117.5585	3.935	4	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C)(CCHH)	C(C[6a]N[5a,6a]C[6a])(CCHH)(H)2	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C)(CCHH){4|C<3>}	C(C[6a]N[5a,6a]C[6a])(CCHH)(H)2	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	115.7230	0.802	2	115.7230	0.643	2	116.5228	1.732	6	116.3714	1.604	7	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CCHH)	C(C[6a]N[5a,6a]C[6a])(CCHH)(H)2	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CCHH){4|C<3>}	C(C[6a]N[5a,6a]C[6a])(CCHH)(H)2	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	116.1010	0.028	2	116.1010	0.001	2	116.5228	1.732	6	116.3714	1.604	7	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CCHH)	C(C[6a]N[5a,6a]C[6a])(CCHH)(H)2	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CCHH){2|C<3>,2|N<2>}	C(C[6a]N[5a,6a]C[6a])(CCHH)(H)2	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]){1|H<1>,2|C<3>}	116.4410	0.000	1	116.4410	0.000	1	116.5228	1.732	6	116.3714	1.604	7	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	C(C[6a]N[5a,6a]C[6a])(CCCH)(H)2	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,2|N<2>}	C(C[6a]N[5a,6a]C[6a])(CCCH)(H)2	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,2|H<1>}	119.0480	0.000	1	119.0480	0.000	1	116.5228	1.732	6	116.3714	1.604	7	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:4:1:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CCHH)	C(C[6a]N[5a,6a]C[6a])(CCHH)(H)2	N[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CCHH){4|C<3>}	C(C[6a]N[5a,6a]C[6a])(CCHH)(H)2	N[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|H<1>,1|O<1>,3|C<3>}	115.4630	0.000	1	115.4630	0.000	1	115.4630	0.000	1	116.3714	1.604	7	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:4:1:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CCHH)	C(C[6a]N[5a,6a]C[6a])(CCHH)(H)2	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CCHH){1|C<4>,4|C<3>}	C(C[6a]N[5a,6a]C[6a])(CCHH)(H)2	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	118.4060	0.000	1	118.4060	0.000	1	118.4060	0.000	1	118.4060	0.000	1	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCCH)	C(C[6a]N[5a,6a]C[6a])(CH3)2(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCCH){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C(C[6a]N[5a,6a]C[6a])(CH3)2(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,2|H<1>}	117.5035	0.059	2	117.5035	0.003	2	117.6977	0.116	4	117.6977	0.116	4	117.9518	2.121	97	118.0100	2.102	112
643	490	813	0:SP2_SP2_SP3	C[6a]	C	N[5a,6a]	3:3:4:	3:4:4:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(CCCH)	C(C[6a]N[5a,6a]C[6a])(CH3)2(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(CCCH){1|H<1>,1|N<2>,2|C<3>}	C(C[6a]N[5a,6a]C[6a])(CH3)2(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,1|N<2>,2|H<1>}	117.8920	0.438	2	117.8920	0.192	2	117.6977	0.116	4	117.6977	0.116	4	117.9518	2.121	97	118.0100	2.102	112
643	490	927	0:SP2_SP2_SP3	C[6a]	C	B[6a]	3:3:4:	3:1:1:1:	3:3:1:	B[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a](B[6a]C[6a,6a]Cl)(C[6a]N[6a]H)(CH3)	C(C[6a]B[6a]C[6a])(H)3	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(Cl)	C[6a](B[6a]C[6a,6a]Cl)(C[6a]N[6a]H)(CH3){1|C<4>,2|C<3>}	C(C[6a]B[6a]C[6a])(H)3	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(Cl){1|N<3>,2|C<3>,2|H<1>}	125.2450	0.153	2	125.2450	0.023	2	125.2450	0.023	2	125.2450	0.023	2	120.9833	6.707	10	120.9833	6.707	10
643	490	927	0:SP2_SP2_SP3	C[6a]	C	B[6a]	3:3:4:	3:1:1:1:	3:3:3:	B[6a]-3:B[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a](B[6a]C[6a]N[6a])2(CH3)	C(C[6a]B[6a]2)(H)3	B[6a](C[6a]B[6a]C)(C[6a]C[6a]2)(N[6a]C[6a]2)	C[6a](B[6a]C[6a]N[6a])2(CH3){7|C<3>}	C(C[6a]B[6a]2)(H)3	B[6a](C[6a]B[6a]C)(C[6a]C[6a]2)(N[6a]C[6a]2){1|N<3>,3|H<1>,5|C<3>}	120.4775	3.227	2	120.4775	10.410	2	120.4775	10.410	2	120.1090	2.716	6	120.9833	6.707	10	120.9833	6.707	10
643	490	927	0:SP2_SP2_SP3	C[6a]	C	B[6a]	3:3:4:	3:1:1:1:	3:3:3:	B[6a]-3:B[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:N-3:	C[6a](B[6a]N[6a]N)2(CH3)	C(C[6a]B[6a]2)(H)3	B[6a](C[6a]B[6a]C)(N[6a]C[6a]2)(NCC)	C[6a](B[6a]N[6a]N)2(CH3){3|C<3>}	C(C[6a]B[6a]2)(H)3	B[6a](C[6a]B[6a]C)(N[6a]C[6a]2)(NCC){1|H<1>,2|C<3>,2|N<3>}	119.3565	1.071	2	119.3565	1.148	2	119.3565	1.148	2	120.1090	2.716	6	120.9833	6.707	10	120.9833	6.707	10
643	490	927	0:SP2_SP2_SP3	C[6a]	C	B[6a]	3:3:4:	3:1:1:1:	3:3:3:	B[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]C)(CH3)	C(C[6a]B[6a]C[6a])(H)3	B[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]2)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]C)(CH3){1|C<4>,4|C<3>}	C(C[6a]B[6a]C[6a])(H)3	B[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	120.4930	0.569	2	120.4930	0.323	2	120.4930	0.323	2	120.1090	2.716	6	120.9833	6.707	10	120.9833	6.707	10
643	490	927	0:SP2_SP2_SP3	C[6a]	C	B[6a]	3:3:4:	3:4:1:1:	3:3:3:	B[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C[6]-3:	C[6a](B[6a]C[6a,6a]C[6])(C[6a]C[6a,6a]Br)(CCHH)	C(C[6a]B[6a]C[6a])(CCHH)(H)2	B[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C)(C[6]C[6]2)	C[6a](B[6a]C[6a,6a]C[6])(C[6a]C[6a,6a]Br)(CCHH){5|C<3>}	C(C[6a]B[6a]C[6a])(CCHH)(H)2	B[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C)(C[6]C[6]2){1|Br<1>,1|H<1>,2|C<2>,2|C<4>,3|C<3>}	118.8570	0.000	1	118.8570	0.000	1	118.8570	0.000	1	119.3445	0.475	2	120.9833	6.707	10	120.9833	6.707	10
643	490	927	0:SP2_SP2_SP3	C[6a]	C	B[6a]	3:3:4:	3:4:1:1:	3:3:3:	B[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](B[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Br)(CCHH)	C(C[6a]B[6a]C[6a])(CCHH)(H)2	B[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](B[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Br)(CCHH){5|C<3>}	C(C[6a]B[6a]C[6a])(CCHH)(H)2	B[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|Br<1>,1|H<1>,2|C<4>,5|C<3>}	119.8320	0.000	1	119.8320	0.000	1	119.8320	0.000	1	119.3445	0.475	2	120.9833	6.707	10	120.9833	6.707	10
643	490	929	0:SP2_SP2_SP3	C[6a]	C	S[6a]	2:3:4:	3:1:1:1:	3:3:	S[6a]-2:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a](S[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[6a]S[6a])(H)3	S[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)	C[6a](S[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|N<2>,1|N<3>,1|O<1>}	C(C[6a]C[6a]S[6a])(H)3	S[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	112.9650	0.000	1	112.9650	0.000	1	112.9650	0.000	1	110.8650	8.820	2	110.4960	4.818	3	110.4960	4.818	3
643	490	929	0:SP2_SP2_SP3	C[6a]	C	S[6a]	2:3:4:	3:1:1:1:	3:3:	S[6a]-2:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]Si)(CH3)	C(C[6a]C[6a]S[6a])(H)3	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]Si)(CH3){1|O<1>,2|C<3>}	C(C[6a]C[6a]S[6a])(H)3	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Si<4>,1|H<1>,3|C<3>}	108.7650	0.000	1	108.7650	0.000	1	108.7650	0.000	1	110.8650	8.820	2	110.4960	4.818	3	110.4960	4.818	3
643	490	929	0:SP2_SP2_SP3	C[6a]	C	S[6a]	2:3:4:	3:4:1:1:	3:3:	S[6a]-2:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]C)(CCHH)	C(C[6a]C[6a]S[6a])(CCHH)(H)2	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]C)(CCHH){1|O<1>,2|C<3>}	C(C[6a]C[6a]S[6a])(CCHH)(H)2	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	109.7580	0.000	1	109.7580	0.000	1	109.7580	0.000	1	109.7580	0.000	1	110.4960	4.818	3	110.4960	4.818	3
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	2:2:4:	3:1:1:1:	3:3:	N[6a]-2:O[6a]-2:C-4:	C[6a]-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(O[6a]C[6a])(CF3)	C(C[6a]N[6a]O[6a])(F)3	O[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)	C[6a](N[6a]C[6a,6a])(O[6a]C[6a])(CF3){1|O<1>,2|C<3>}	C(C[6a]N[6a]O[6a])(F)3	O[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C){2|C<3>}	110.5190	0.000	1	110.5190	0.000	1	110.5190	0.000	1	110.6870	0.153	4	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	2:2:4:	3:1:1:1:	3:3:	N[6a]-2:O[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(O[6a]C[6a])(CH3)	C(C[6a]N[6a]O[6a])(H)3	O[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)	C[6a](N[6a]C[6a,6a])(O[6a]C[6a])(CH3){1|O<1>,2|C<3>}	C(C[6a]N[6a]O[6a])(H)3	O[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C){2|C<3>}	110.7430	0.459	3	110.7430	0.210	3	110.7430	0.210	3	110.6870	0.153	4	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	2:3:4:	3:1:1:1:	3:3:	O[6a]-2:C[6a]-3:C-4:	C[6a]-3:Br-1:Br-1:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(CBr2H)	C(C[6a]C[6a]O[6a])(Br)2(H)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(CBr2H){1|O<1>,2|C<3>}	C(C[6a]C[6a]O[6a])(Br)2(H)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	113.6710	0.000	1	113.6710	0.000	1	113.6710	0.000	1	110.6938	1.278	52	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	2:3:4:	3:1:1:1:	3:3:	O[6a]-2:C[6a]-3:C-4:	C[6a]-3:Cl-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:	C[6a](O[6a]C[6,6a])(C[6a]C[6a]H)(CClHH)	C(C[6a]C[6a]O[6a])(Cl)(H)2	O[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C[6a](O[6a]C[6,6a])(C[6a]C[6a]H)(CClHH){1|C<3>,1|C<4>,1|O<1>}	C(C[6a]C[6a]O[6a])(Cl)(H)2	O[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	112.0500	0.000	1	112.0500	0.000	1	112.0500	0.000	1	110.6938	1.278	52	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	2:3:4:	3:1:1:1:	3:3:	O[6a]-2:C[6a]-3:C-4:	C[6a]-3:F-1:F-1:F-1:	C[6a,6a]-3:C[6a]-3:	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]2)(CF3)	C(C[6a]C[6a]O[6a])(F)3	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]2)(CF3){1|O<1>,4|C<3>}	C(C[6a]C[6a]O[6a])(F)3	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	107.7510	0.000	1	107.7510	0.000	1	109.0663	1.369	3	110.6938	1.278	52	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	2:3:4:	3:1:1:1:	3:3:	O[6a]-2:C[6a]-3:C-4:	C[6a]-3:F-1:F-1:F-1:	C[6a,6a]-3:C[6a]-3:	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(CF3)	C(C[6a]C[6a]O[6a])(F)3	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(CF3){1|O<1>,2|C<3>}	C(C[6a]C[6a]O[6a])(F)3	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	109.7240	0.378	2	109.7240	0.143	2	109.0663	1.369	3	110.6938	1.278	52	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	2:3:4:	3:1:1:1:	3:3:	O[6a]-2:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a](O[6a]C[5a,6a])(C[6a]C[6a]Cl)(CH3)	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C[6a](O[6a]C[5a,6a])(C[6a]C[6a]Cl)(CH3){1|C<3>,1|N<3>,1|O<1>}	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|Cl<1>,1|N<2>,3|C<3>}	110.9350	0.806	2	110.9350	0.650	2	110.8473	0.348	3	110.6938	1.278	52	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	2:3:4:	3:1:1:1:	3:3:	O[6a]-2:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a](O[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C[6a](O[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|N<3>,1|O<1>}	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	110.6720	0.000	1	110.6720	0.000	1	110.8473	0.348	3	110.6938	1.278	52	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	2:3:4:	3:1:1:1:	3:3:	O[6a]-2:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:	C[6a](O[6a]C[6,6a])(C[6a]C[6a]C)(CH3)	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C[6a](O[6a]C[6,6a])(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|O<1>}	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C){2|C<3>,4|C<4>}	109.7695	0.131	2	109.7695	0.017	2	110.7538	0.374	12	110.6938	1.278	52	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	2:3:4:	3:1:1:1:	3:3:	O[6a]-2:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:	C[6a](O[6a]C[6,6a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C[6a](O[6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|O<1>,2|C<3>}	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C){1|H<1>,1|O<1>,3|C<3>}	111.2660	0.000	1	111.2862	0.035	4	110.7538	0.374	12	110.6938	1.278	52	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	2:3:4:	3:1:1:1:	3:3:	O[6a]-2:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:	C[6a](O[6a]C[6,6a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C[6a](O[6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|O<2>,2|C<3>}	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C){2|H<1>,3|C<3>}	111.2930	0.229	3	111.2862	0.035	4	110.7538	0.374	12	110.6938	1.278	52	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	2:3:4:	3:1:1:1:	3:3:	O[6a]-2:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:	C[6a](O[6a]C[6,6a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)	C[6a](O[6a]C[6,6a])(C[6a]C[6a]H)(CH3){1|C<3>,2|O<2>}	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C){1|H<1>,3|C<3>}	110.7268	0.428	6	110.7268	0.183	6	110.7538	0.374	12	110.6938	1.278	52	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	2:3:4:	3:1:1:1:	3:3:	O[6a]-2:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(CH3)	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(CH3){1|O<1>,2|C<3>}	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C){2|C<4>,3|C<3>}	109.6380	0.000	1	109.6380	0.000	1	110.6741	1.254	32	110.6938	1.278	52	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	2:3:4:	3:1:1:1:	3:3:	O[6a]-2:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(CH3)	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(CH3){1|O<1>,2|C<3>}	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	109.7490	0.000	1	109.7580	0.000	2	110.6741	1.254	32	110.6938	1.278	52	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	2:3:4:	3:1:1:1:	3:3:	O[6a]-2:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(CH3)	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(CH3){1|O<1>,2|C<3>}	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	109.7670	0.000	1	109.7580	0.000	2	110.6741	1.254	32	110.6938	1.278	52	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	2:3:4:	3:1:1:1:	3:3:	O[6a]-2:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|O<1>,2|C<3>}	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	110.9955	0.221	2	111.3789	0.280	18	110.6741	1.254	32	110.6938	1.278	52	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	2:3:4:	3:1:1:1:	3:3:	O[6a]-2:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|O<1>,2|C<3>}	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	111.4268	0.540	16	111.3789	0.280	18	110.6741	1.254	32	110.6938	1.278	52	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	2:3:4:	3:1:1:1:	3:3:	O[6a]-2:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|N<2>,1|O<1>}	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	109.9870	0.000	1	109.9870	0.000	1	110.6741	1.254	32	110.6938	1.278	52	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	2:3:4:	3:1:1:1:	3:3:	O[6a]-2:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(CH3)	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]C)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(CH3){1|C<3>,1|O<1>,1|O<2>}	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	110.8565	0.653	4	110.8565	0.426	4	110.6741	1.254	32	110.6938	1.278	52	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	2:3:4:	3:1:1:1:	3:3:	O[6a]-2:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]S)(CH3)	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]S)(CH3){1|O<1>,2|C<3>}	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|F<1>,1|S<4>,3|C<3>}	108.3837	0.135	3	109.0307	0.864	6	110.6741	1.254	32	110.6938	1.278	52	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	2:3:4:	3:1:1:1:	3:3:	O[6a]-2:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]S)(CH3)	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]S)(CH3){1|O<1>,2|C<3>}	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|S<2>,3|C<3>}	110.7320	0.000	1	109.0307	0.864	6	110.6741	1.254	32	110.6938	1.278	52	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	2:3:4:	3:1:1:1:	3:3:	O[6a]-2:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]S)(CH3)	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]S)(CH3){1|O<1>,2|C<3>}	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|S<4>,3|C<3>}	109.1505	0.325	2	109.0307	0.864	6	110.6741	1.254	32	110.6938	1.278	52	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	2:3:4:	3:2:1:1:	3:3:	O[6a]-2:C[6a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(CHHO)	C(C[6a]C[6a]O[6a])(OH)(H)2	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(CHHO){1|O<1>,2|C<3>}	C(C[6a]C[6a]O[6a])(OH)(H)2	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	110.2600	0.583	2	110.2600	0.339	2	110.2600	0.339	2	110.2600	0.339	2	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	2:3:4:	3:3:1:1:	3:3:	O[6a]-2:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]HH)	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(H)2	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]HH){1|O<1>,2|C<3>}	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(H)2	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	109.3330	0.000	1	109.3330	0.000	1	109.3330	0.000	1	109.3330	0.000	1	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	2:3:4:	3:3:3:1:	3:3:	O[6a]-2:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]2H)	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)2(H)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]2H){1|O<1>,2|C<3>}	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)2(H)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	111.0020	0.000	1	111.0020	0.000	1	111.0020	0.000	1	111.0020	0.000	1	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	2:3:4:	3:3:4:1:	3:3:	O[6a]-2:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]CH)	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(CCHH)(H)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]CH){1|O<1>,2|C<3>}	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(CCHH)(H)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	113.6260	0.000	1	113.6260	0.000	1	113.6260	0.000	1	113.6260	0.000	1	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	2:3:4:	3:4:1:1:	3:3:	O[6a]-2:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:	C[6a](O[6a]C[6,6a])(C[6a]C[6a]H)(CCHH)	C(C[6a]C[6a]O[6a])(CC[6a]HH)(H)2	O[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C[6a](O[6a]C[6,6a])(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,1|O<1>}	C(C[6a]C[6a]O[6a])(CC[6a]HH)(H)2	O[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	110.9320	0.000	1	110.9320	0.000	1	110.9320	0.000	1	110.1264	2.859	7	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	2:3:4:	3:4:1:1:	3:3:	O[6a]-2:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(CCHH)	C(C[6a]C[6a]O[6a])(CH3)(H)2	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]C)(CCHH){1|O<1>,2|C<3>}	C(C[6a]C[6a]O[6a])(CH3)(H)2	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	108.8160	0.840	2	108.8160	0.706	2	109.9922	3.279	6	110.1264	2.859	7	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	2:3:4:	3:4:1:1:	3:3:	O[6a]-2:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH)	C(C[6a]C[6a]O[6a])(CC[6a]HH)(H)2	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH){1|O<1>,2|C<3>}	C(C[6a]C[6a]O[6a])(CC[6a]HH)(H)2	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	111.5405	2.463	2	111.5405	6.066	2	109.9922	3.279	6	110.1264	2.859	7	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	2:3:4:	3:4:1:1:	3:3:	O[6a]-2:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH)	C(C[6a]C[6a]O[6a])(CH3)(H)2	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(CCHH){1|O<1>,2|C<3>}	C(C[6a]C[6a]O[6a])(CH3)(H)2	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	110.5650	0.000	1	110.5650	0.000	1	109.9922	3.279	6	110.1264	2.859	7	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	2:3:4:	3:4:1:1:	3:3:	O[6a]-2:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]S)(CCHH)	C(C[6a]C[6a]O[6a])(CH3)(H)2	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]S)(CCHH){1|O<1>,2|C<3>}	C(C[6a]C[6a]O[6a])(CH3)(H)2	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|S<4>,3|C<3>}	108.6750	0.000	1	108.6750	0.000	1	109.9922	3.279	6	110.1264	2.859	7	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	2:4:3:	3:4:3:1:	3:3:	O[6a]-2:C-4:C[6a]-3:	C[6a]-3:C[6]-4:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a](O[6a]C[6a,6a])(CC[6a]C[6]H)(C[6a]C[6a]C)	C(C[6a]C[6a]O[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a](O[6a]C[6a,6a])(CC[6a]C[6]H)(C[6a]C[6a]C){1|O<1>,2|C<3>}	C(C[6a]C[6a]O[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]2)(H)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	108.3940	0.000	1	108.3940	0.000	1	108.3940	0.000	1	108.3940	0.000	1	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:1:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]C)(O[6a]C[6a])(CH3)	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)	C[6a](C[6a]C[5,6a]C)(O[6a]C[6a])(CH3){1|C<3>,1|O<1>,1|O<2>}	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C){1|C<3>,2|C<4>}	110.5235	0.760	2	110.5235	0.578	2	111.3232	1.587	78	111.3232	1.587	78	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:1:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(O[6a]C[6a])(CH3)	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)	C[6a](C[6a]C[5,6a]H)(O[6a]C[6a])(CH3){1|C<3>,1|O<1>,1|O<2>}	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>}	111.2943	0.259	3	111.2943	0.067	3	111.3232	1.587	78	111.3232	1.587	78	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:1:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(O[6a]C[6a])(CH3)	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)	C[6a](C[6a]C[5a,6a]H)(O[6a]C[6a])(CH3){1|C<3>,1|N<3>,1|O<1>}	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C){1|H<1>,2|C<3>}	111.8350	0.000	1	112.0907	0.066	6	111.3232	1.587	78	111.3232	1.587	78	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:1:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(O[6a]C[6a])(CH3)	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)	C[6a](C[6a]C[5a,6a]H)(O[6a]C[6a])(CH3){1|C<3>,1|O<1>,1|O<2>}	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C){1|H<1>,2|C<3>}	112.1418	0.252	5	112.0907	0.066	6	111.3232	1.587	78	111.3232	1.587	78	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:1:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]C)(O[6a]C[6a])(CH3)	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)	C[6a](C[6a]C[6,6a]C)(O[6a]C[6a])(CH3){1|C<3>,1|O<1>,1|O<2>}	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C){1|C<3>,2|C<4>}	110.7110	0.143	2	110.8643	0.081	3	111.3232	1.587	78	111.3232	1.587	78	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:1:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]C)(O[6a]C[6a])(CH3)	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)	C[6a](C[6a]C[6,6a]C)(O[6a]C[6a])(CH3){1|C<3>,1|O<1>,1|O<2>}	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C){1|C<4>,2|C<3>}	111.1710	0.000	1	110.8643	0.081	3	111.3232	1.587	78	111.3232	1.587	78	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:1:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(O[6a]C[6a])(CH3)	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)	C[6a](C[6a]C[6,6a]H)(O[6a]C[6a])(CH3){1|C<3>,1|O<1>,1|O<2>}	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>}	112.0342	0.266	12	112.0245	0.062	15	111.3232	1.587	78	111.3232	1.587	78	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:1:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(O[6a]C[6a])(CH3)	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)	C[6a](C[6a]C[6,6a]H)(O[6a]C[6a])(CH3){1|C<3>,1|O<1>,1|O<2>}	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C){1|H<1>,2|C<3>}	111.9857	0.198	3	112.0245	0.062	15	111.3232	1.587	78	111.3232	1.587	78	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:1:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C)(O[6a]C[6a])(CH3)	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C)(O[6a]C[6a])(CH3){1|O<1>,2|C<3>}	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|C<4>,2|C<3>}	108.4000	0.000	1	108.8253	0.197	6	111.3232	1.587	78	111.3232	1.587	78	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:1:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C)(O[6a]C[6a])(CH3)	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C)(O[6a]C[6a])(CH3){1|O<1>,2|C<3>}	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C){3|C<3>}	108.9104	0.439	5	108.8253	0.197	6	111.3232	1.587	78	111.3232	1.587	78	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:1:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(CH3)	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(CH3){1|C<3>,1|N<2>,1|O<1>}	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|H<1>,2|C<3>}	110.6437	2.093	3	110.6707	1.578	7	111.3232	1.587	78	111.3232	1.587	78	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:1:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(CH3)	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(CH3){1|O<1>,2|C<3>}	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|H<1>,2|C<3>}	110.6910	0.485	4	110.6707	1.578	7	111.3232	1.587	78	111.3232	1.587	78	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:1:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]P)(O[6a]C[6a])(CH3)	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]P)(O[6a]C[6a])(CH3){1|O<1>,2|C<3>}	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|P<4>,2|C<3>}	106.7670	0.000	1	106.7670	0.000	1	111.3232	1.587	78	111.3232	1.587	78	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:1:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(O[6a]C[6a])(CH3)	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C)(O[6a]C[6a])(CH3){1|C<3>,1|O<1>,1|O<2>}	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>}	109.8290	0.000	1	110.3726	0.246	9	111.3232	1.587	78	111.3232	1.587	78	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:1:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(O[6a]C[6a])(CH3)	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C)(O[6a]C[6a])(CH3){1|C<3>,1|O<1>,1|O<2>}	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,2|C<4>}	110.3490	0.346	6	110.3726	0.246	9	111.3232	1.587	78	111.3232	1.587	78	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:1:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(O[6a]C[6a])(CH3)	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C)(O[6a]C[6a])(CH3){1|O<1>,2|C<3>}	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>}	110.0690	0.000	1	110.3726	0.246	9	111.3232	1.587	78	111.3232	1.587	78	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:1:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(O[6a]C[6a])(CH3)	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C)(O[6a]C[6a])(CH3){1|O<1>,2|C<3>}	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[6a]C)(C[6a]C[6a]O){3|C<3>}	111.3610	0.000	1	110.3726	0.246	9	111.3232	1.587	78	111.3232	1.587	78	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:1:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CH3)	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|O<1>}	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	112.8980	0.000	1	112.0895	1.307	2	111.3232	1.587	78	111.3232	1.587	78	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:1:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CH3)	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|O<1>}	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>}	111.2810	0.000	1	112.0895	1.307	2	111.3232	1.587	78	111.3232	1.587	78	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:1:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CH3)	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|O<1>}	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<3>}	112.5720	0.000	1	111.9318	0.267	15	111.3232	1.587	78	111.3232	1.587	78	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:1:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CH3)	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CH3){1|C<3>,1|O<1>,1|O<2>}	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,2|H<1>}	112.2490	0.410	2	111.9318	0.267	15	111.3232	1.587	78	111.3232	1.587	78	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:1:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CH3)	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CH3){1|C<3>,1|O<1>,1|O<2>}	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|H<1>,2|C<3>}	111.7452	0.444	11	111.9318	0.267	15	111.3232	1.587	78	111.3232	1.587	78	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:1:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CH3)	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CH3){1|Pd<4>,1|C<3>,1|O<1>}	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,2|H<1>}	112.7100	0.000	1	111.9318	0.267	15	111.3232	1.587	78	111.3232	1.587	78	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:1:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CH3)	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|O<1>}	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[6a]C)2{1|C<3>,1|H<1>,1|O<2>}	111.9903	0.385	3	111.9903	0.149	3	111.3232	1.587	78	111.3232	1.587	78	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:1:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CH3)	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|O<1>}	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>}	112.7410	0.152	4	112.8548	0.082	5	111.3232	1.587	78	111.3232	1.587	78	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:1:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CH3)	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CH3){1|C<3>,1|H<1>,1|O<1>}	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|O<2>}	113.3100	0.000	1	112.8548	0.082	5	111.3232	1.587	78	111.3232	1.587	78	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:1:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]N[5a,6a]H)(O[6a]C[6a])(CH3)	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)	C[6a](C[6a]N[5a,6a]H)(O[6a]C[6a])(CH3){1|O<1>,2|C<3>}	C(C[6a]C[6a]O[6a])(H)3	O[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|N<3>}	111.6060	0.000	1	111.6060	0.000	1	111.3232	1.587	78	111.3232	1.587	78	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:2:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(CHHO)	C(C[6a]C[6a]O[6a])(OC)(H)2	O[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(CHHO){1|O<1>,2|C<3>}	C(C[6a]C[6a]O[6a])(OC)(H)2	O[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|H<1>,2|C<3>}	109.0910	0.000	1	109.0910	0.000	1	111.8948	4.766	8	111.8948	4.766	8	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:2:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CHHO)	C(C[6a]C[6a]O[6a])(OH)(H)2	O[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CHHO){1|C<3>,1|O<1>,1|O<2>}	C(C[6a]C[6a]O[6a])(OH)(H)2	O[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,2|H<1>}	109.7470	0.000	1	109.7470	0.000	1	111.8948	4.766	8	111.8948	4.766	8	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:2:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CHHO)	C(C[6a]C[6a]O[6a])(OH)(H)2	O[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CHHO){1|C<3>,1|C<4>,1|O<1>}	C(C[6a]C[6a]O[6a])(OH)(H)2	O[6a](C[6a]C[6a]C)2{1|C<3>,1|H<1>,1|O<2>}	110.7195	0.244	2	110.7195	0.060	2	111.8948	4.766	8	111.8948	4.766	8	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:2:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CHHO)	C(C[6a]C[6a]O[6a])(OH)(H)2	O[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CHHO){1|C<3>,1|C<4>,1|O<1>}	C(C[6a]C[6a]O[6a])(OH)(H)2	O[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	114.3440	0.000	1	114.3440	0.000	1	111.8948	4.766	8	111.8948	4.766	8	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:2:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CHHO)	C(C[6a]C[6a]O[6a])(OH)(H)2	O[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CHHO){1|C<3>,1|H<1>,1|O<1>}	C(C[6a]C[6a]O[6a])(OH)(H)2	O[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|O<2>}	112.8070	1.110	2	112.8070	1.232	2	111.8948	4.766	8	111.8948	4.766	8	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:2:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CHHO)	C(C[6a]C[6a]O[6a])(OH)(H)2	O[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CHHO){1|C<3>,1|C<4>,1|O<1>}	C(C[6a]C[6a]O[6a])(OH)(H)2	O[6a](C[6a]C[6a]C)2{1|C<3>,1|H<1>,1|O<2>}	114.9230	0.000	1	114.9230	0.000	1	111.8948	4.766	8	111.8948	4.766	8	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:3:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(H)2	O[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(CC[6a]HH){1|O<1>,2|C<3>}	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(H)2	O[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|H<1>,2|C<3>}	109.9796	0.828	9	109.9796	0.685	9	110.0686	0.688	10	110.9956	2.602	15	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:3:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CC[6a]HH)	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(H)2	O[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CC[6a]HH){1|O<1>,2|C<3>}	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(H)2	O[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,2|H<1>}	110.8700	0.000	1	110.8700	0.000	1	110.0686	0.688	10	110.9956	2.602	15	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:3:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CHHN)	C(C[6a]C[6a]O[6a])(NCC)(H)2	O[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CHHN){1|C<3>,1|H<1>,1|O<1>}	C(C[6a]C[6a]O[6a])(NCC)(H)2	O[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>}	113.4120	0.706	3	113.4120	0.498	3	113.4120	0.498	3	110.9956	2.602	15	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:3:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CN[6]HH)	C(C[6a]C[6a]O[6a])(N[6]C[6]2)(H)2	O[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CN[6]HH){1|C<3>,1|C<4>,1|O<1>}	C(C[6a]C[6a]O[6a])(N[6]C[6]2)(H)2	O[6a](C[6a]C[6a]C)2{1|C<3>,1|H<1>,1|O<2>}	112.0060	1.038	2	112.0060	1.078	2	112.0060	1.078	2	110.9956	2.602	15	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:3:2:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:C-3:S-2:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(O[6a]C[6a])(CCHS)	C(C[6a]C[6a]O[6a])(COO)(SC)(H)	O[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]C)(O[6a]C[6a])(CCHS){1|O<1>,2|C<3>}	C(C[6a]C[6a]O[6a])(COO)(SC)(H)	O[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	109.7170	0.000	1	109.7170	0.000	1	109.7170	0.000	1	110.0395	0.208	2	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:3:2:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CC[6a]HO)	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(OH)(H)	O[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CC[6a]HO){1|C<3>,1|H<1>,1|O<1>}	C(C[6a]C[6a]O[6a])(C[6a]C[6a]2)(OH)(H)	O[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,2|H<1>}	110.3620	0.000	1	110.3620	0.000	1	110.3620	0.000	1	110.0395	0.208	2	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:4:1:1:	3:3:	C[5,6a]-3:O[6a]-2:C-4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a])(CCHH)	C(C[6a]C[5,6a]O[6a])(CCHH)(H)2	O[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a])(CCHH){2|O<1>,3|C<3>}	C(C[6a]C[5,6a]O[6a])(CCHH)(H)2	O[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O){1|H<1>,2|C<3>}	114.5357	0.260	3	114.5357	0.068	3	114.5357	0.068	3	111.3862	3.039	25	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:4:1:1:	3:3:	C[6,6a]-3:O[6a]-2:C-4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a])(CCHH)	C(C[6a]C[6,6a]O[6a])(CH3)(H)2	O[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a])(CCHH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[6a]C[6,6a]O[6a])(CH3)(H)2	O[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>}	112.0150	0.000	1	112.0150	0.000	1	112.0150	0.000	1	111.3862	3.039	25	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:4:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:C-4:H-1:H-1:	B[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]N)(O[6a]B[6a])(CCHH)	C(C[6a]C[6a]O[6a])(CCHH)(H)2	O[6a](B[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]N)(O[6a]B[6a])(CCHH){1|O<2>,2|C<3>}	C(C[6a]C[6a]O[6a])(CCHH)(H)2	O[6a](B[6a]C[6a,6a]O)(C[6a]C[6a]C){1|N<3>,2|C<3>}	111.2700	0.000	2	111.2700	0.000	2	111.2700	0.000	2	111.3862	3.039	25	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:4:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(O[6a]C[6a])(CCHH)	C(C[6a]C[6a]O[6a])(CCHH)(H)2	O[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)	C[6a](C[6a]C[6,6a]H)(O[6a]C[6a])(CCHH){1|C<3>,1|N<3>,1|O<1>}	C(C[6a]C[6a]O[6a])(CCHH)(H)2	O[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C){1|H<1>,2|C<3>}	111.0390	0.000	1	111.0390	0.000	1	110.6537	2.002	15	111.3862	3.039	25	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:4:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C)(O[6a]C[6a])(CCHH)	C(C[6a]C[6a]O[6a])(CCHH)(H)2	O[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C)(O[6a]C[6a])(CCHH){1|O<1>,2|C<3>}	C(C[6a]C[6a]O[6a])(CCHH)(H)2	O[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|C<4>,2|C<3>}	107.7860	0.000	1	107.7860	0.000	1	110.6537	2.002	15	111.3862	3.039	25	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:4:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(CCHH)	C(C[6a]C[6a]O[6a])(CCHH)(H)2	O[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(CCHH){1|O<1>,2|C<3>}	C(C[6a]C[6a]O[6a])(CCHH)(H)2	O[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|H<1>,2|C<3>}	110.4640	0.000	1	110.4640	0.000	1	110.6537	2.002	15	111.3862	3.039	25	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:4:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(CCHH)	C(C[6a]C[6a]O[6a])(CCHO)(H)2	O[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(CCHH){1|O<1>,2|C<3>}	C(C[6a]C[6a]O[6a])(CCHO)(H)2	O[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|H<1>,2|C<3>}	110.1893	1.551	3	110.1893	2.404	3	110.6537	2.002	15	111.3862	3.039	25	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:4:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(CCHH)	C(C[6a]C[6a]O[6a])(CClCH)(H)2	O[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(CCHH){1|O<1>,2|C<3>}	C(C[6a]C[6a]O[6a])(CClCH)(H)2	O[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|H<1>,2|C<3>}	111.2325	0.141	2	111.2325	0.020	2	110.6537	2.002	15	111.3862	3.039	25	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:4:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(CCHH)	C(C[6a]C[6a]O[6a])(CH3)(H)2	O[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(CCHH){1|O<1>,2|C<3>}	C(C[6a]C[6a]O[6a])(CH3)(H)2	O[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|H<1>,2|C<3>}	109.3930	0.000	1	109.3930	0.000	1	110.6537	2.002	15	111.3862	3.039	25	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:4:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]I)(O[6a]C[6a])(CCHH)	C(C[6a]C[6a]O[6a])(CCHH)(H)2	O[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]I)(O[6a]C[6a])(CCHH){1|O<1>,2|C<3>}	C(C[6a]C[6a]O[6a])(CCHH)(H)2	O[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|I<1>,2|C<3>}	110.9470	0.000	1	110.9470	0.000	1	110.6537	2.002	15	111.3862	3.039	25	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:4:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]S)(O[6a]C[6a])(CCHH)	C(C[6a]C[6a]O[6a])(CH3)(H)2	O[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]S)(O[6a]C[6a])(CCHH){1|O<1>,2|C<3>}	C(C[6a]C[6a]O[6a])(CH3)(H)2	O[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|S<2>,2|C<3>}	109.4570	0.000	1	109.4570	0.000	1	110.6537	2.002	15	111.3862	3.039	25	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:4:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(O[6a]C[6a])(CCHH)	C(C[6a]C[6a]O[6a])(CH3)(H)2	O[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C)(O[6a]C[6a])(CCHH){1|C<3>,1|O<1>,1|O<2>}	C(C[6a]C[6a]O[6a])(CH3)(H)2	O[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,2|C<4>}	110.3890	0.000	1	110.3890	0.000	1	110.6537	2.002	15	111.3862	3.039	25	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:4:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CCHH)	C(C[6a]C[6a]O[6a])(CH3)(H)2	O[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CCHH){1|O<1>,2|C<3>}	C(C[6a]C[6a]O[6a])(CH3)(H)2	O[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|H<1>,2|C<3>}	112.1720	0.000	1	112.1720	0.000	1	110.6537	2.002	15	111.3862	3.039	25	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:4:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CCHH)	C(C[6a]C[6a]O[6a])(CH3)(H)2	O[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CCHH){1|C<3>,1|H<1>,1|O<1>}	C(C[6a]C[6a]O[6a])(CH3)(H)2	O[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>}	112.5625	0.841	2	112.5625	0.707	2	110.6537	2.002	15	111.3862	3.039	25	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:4:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(CC[3]HH)	C(C[6a]C[6a]O[6a])(C[3]C[3]O[3]H)(H)2	O[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(CC[3]HH){1|O<1>,2|C<3>}	C(C[6a]C[6a]O[6a])(C[3]C[3]O[3]H)(H)2	O[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|H<1>,2|C<3>}	110.7390	0.000	1	110.7390	0.000	1	110.7390	0.000	1	111.3862	3.039	25	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:4:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(O[6a]C[6a])(CC[6]HH)	C(C[6a]C[6a]O[6a])(C[6]C[6]2C)(H)2	O[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(O[6a]C[6a])(CC[6]HH){1|C<3>,1|H<1>,1|O<1>}	C(C[6a]C[6a]O[6a])(C[6]C[6]2C)(H)2	O[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	110.1880	0.000	1	110.1880	0.000	1	110.1880	0.000	1	111.3862	3.039	25	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:4:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CHHN)	C(C[6a]C[6a]O[6a])(NCCH)(H)2	O[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CHHN){1|C<3>,1|H<1>,1|O<1>}	C(C[6a]C[6a]O[6a])(NCCH)(H)2	O[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>}	113.2150	0.000	1	113.2150	0.000	1	112.8805	0.224	2	111.3862	3.039	25	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:4:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:N-4:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CHHN)	C(C[6a]C[6a]O[6a])(NCCH)(H)2	O[6a](C[6a]C[6a]C)2	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CHHN){1|C<3>,1|C<4>,1|O<1>}	C(C[6a]C[6a]O[6a])(NCCH)(H)2	O[6a](C[6a]C[6a]C)2{1|C<3>,1|H<1>,1|O<2>}	112.5460	0.000	1	112.5460	0.000	1	112.8805	0.224	2	111.3862	3.039	25	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:4:2:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CCHO)	C(C[6a]C[6a]O[6a])(CH3)(OC)(H)	O[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CCHO){1|C<3>,1|H<1>,1|O<1>}	C(C[6a]C[6a]O[6a])(CH3)(OC)(H)	O[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,2|H<1>}	112.6375	0.021	2	112.6375	0.000	2	112.6375	0.000	2	112.6375	0.000	2	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:4:3:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(O[6a]C[6a])(CCCH)	C(C[6a]C[6a]O[6a])(CH3)(CCO)(H)	O[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C)(O[6a]C[6a])(CCCH){1|C<3>,1|O<1>,1|O<2>}	C(C[6a]C[6a]O[6a])(CH3)(CCO)(H)	O[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,2|C<4>}	110.0650	0.229	2	110.0650	0.052	2	110.0650	0.052	2	110.0650	0.052	2	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:4:4:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(O[6a]C[6a])(CCCH)	C(C[6a]C[6a]O[6a])(CH3)2(H)	O[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C[6a])(O[6a]C[6a])(CCCH){1|O<1>,4|C<3>}	C(C[6a]C[6a]O[6a])(CH3)2(H)	O[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C){3|C<3>}	110.4460	0.000	1	110.4460	0.000	1	110.4433	0.013	3	110.4433	0.013	3	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:4:4:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CCCH)	C(C[6a]C[6a]O[6a])(CH3)2(H)	O[6a](C[6a]C[6a]C)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CCCH){1|N<3>,2|O<1>}	C(C[6a]C[6a]O[6a])(CH3)2(H)	O[6a](C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	110.4420	0.160	2	110.4420	0.026	2	110.4433	0.013	3	110.4433	0.013	3	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:4:4:2:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(O[6a]C[6a])(CCCO)	C(C[6a]C[6a]O[6a])(CH3)2(OH)	O[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C[6a])(O[6a]C[6a])(CCCO){1|O<1>,4|C<3>}	C(C[6a]C[6a]O[6a])(CH3)2(OH)	O[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C){3|C<3>}	107.0270	0.000	1	107.0270	0.000	1	107.0270	0.000	1	107.0270	0.000	1	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:4:4:4:	3:3:	C[5,6a]-3:O[6a]-2:C-4:	C[6a]-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a])(CC3)	C(C[6a]C[5,6a]O[6a])(CH3)3	O[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a])(CC3){2|O<1>,3|C<3>}	C(C[6a]C[5,6a]O[6a])(CH3)3	O[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O){1|H<1>,2|C<3>}	111.9670	0.000	1	111.9670	0.000	1	111.9670	0.000	1	111.6397	0.090	3	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:4:4:4:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CC3)	C(C[6a]C[6a]O[6a])(CH3)3	O[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CC3){1|C<3>,1|C<4>,1|O<1>}	C(C[6a]C[6a]O[6a])(CH3)3	O[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,2|H<1>}	111.3770	0.000	1	111.4760	0.020	2	111.4760	0.020	2	111.6397	0.090	3	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	3:4:4:4:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CC3)	C(C[6a]C[6a]O[6a])(CH3)3	O[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CC3){1|O<1>,2|C<3>}	C(C[6a]C[6a]O[6a])(CH3)3	O[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|H<1>,2|C<3>}	111.5750	0.000	1	111.4760	0.020	2	111.4760	0.020	2	111.6397	0.090	3	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	3:2:4:	4:3:1:1:	3:3:	C[6a]-3:O[6a]-2:C-4:	C[5,6]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CC[5,6]HH)	C(C[5,6]C[5,6a]C[5,6]C[6])(C[6a]C[6a]O[6a])(H)2	O[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]O)(O[6a]C[6a])(CC[5,6]HH){1|C<3>,1|H<1>,1|O<1>}	C(C[5,6]C[5,6a]C[5,6]C[6])(C[6a]C[6a]O[6a])(H)2	O[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>}	111.6350	0.000	1	111.6350	0.000	1	111.6350	0.000	1	111.6350	0.000	1	111.0767	2.097	210	111.0767	2.097	210
643	490	933	0:SP2_SP2_SP3	C[6a]	C	O[6a]	4:3:2:	3:3:3:1:	3:3:	C-4:C[6a]-3:O[6a]-2:	C[6a]-3:C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]O)(O[6a]C[6a])	C(C[6a]C[6a]O[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	O[6a](C[6a]C[6a]C)2	C[6a](CC[5a]C[6a]H)(C[6a]C[6a]O)(O[6a]C[6a]){1|C<3>,1|C<4>,1|O<1>}	C(C[6a]C[6a]O[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	O[6a](C[6a]C[6a]C)2{1|C<3>,1|H<1>,1|O<2>}	115.1640	0.000	1	115.1640	0.000	1	115.1640	0.000	1	115.1640	0.000	1	111.0767	2.097	210	111.0767	2.097	210
643	502	643	0:SP2_SP-NON_SP2	C[6,6a]	Br[6]	C[6a]	3:3:2:	3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:Br[6]-2:	C[6,6a]-3:Ga[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Br[6]Ga[6])	Br[6](C[6,6a]C[6,6a]C[6a])(Ga[6]C[6]Cl2)	C[6a](C[6,6a]C[6,6a]Br[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Br[6]Ga[6]){2|Cl<1>,1|C<3>,1|C<4>,4|H<1>}	Br[6](C[6,6a]C[6,6a]C[6a])(Ga[6]C[6]Cl2){1|Ga<4>,1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]Br[6])(C[6a]C[6a]H)(H){1|Ga<4>,1|C<3>,1|C<4>,1|H<1>}	115.4300	0.000	1	115.4300	0.000	1	115.4300	0.000	1	115.4300	0.000	1	115.4300	0.000	1	115.4300	0.000	1
643	502	643	6:SP2_SP-NON_SP2	C[6,6a]	Br[6]	C[6,6a]	3:3:2:	3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:Br[6]-2:	C[6,6a]-3:Ga[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Br[6]Ga[6])	Br[6](C[6,6a]C[6,6a]C[6a])(Ga[6]C[6]Cl2)	C[6,6a](C[6,6a]Br[6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Br[6]Ga[6]){2|Cl<1>,1|C<3>,1|C<4>,4|H<1>}	Br[6](C[6,6a]C[6,6a]C[6a])(Ga[6]C[6]Cl2){1|Ga<4>,1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]Br[6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|Si<4>,2|Ga<4>,1|C<3>,2|H<1>}	120.3190	0.000	1	120.3190	0.000	1	120.3190	0.000	1	120.3190	0.000	1	120.3190	0.000	1	120.3190	0.000	1
643	510	643	0:SP2_SP2_SP2	C[6a]	B	C[6a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[6a]-3:B-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(BC[6a])	B(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(BC[6a]){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	119.5800	1.049	4	119.5800	1.100	4	119.5800	1.100	4	119.5800	1.100	4	119.5800	1.100	4	119.5800	1.100	4
643	514	643	0:SP2_SP2_SP3	C[6a]	As[5]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	As[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](As[5]C[5,6a]2O)(C[6a]C[6a]H)2	As[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O)	C[6a](C[6a]As[5]C[6a])(C[6a]C[6a]H)(H)	C[6a](As[5]C[5,6a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	As[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O){2|N<2>,4|C<3>,4|H<1>}	C[6a](C[6a]As[5]C[6a])(C[6a]C[6a]H)(H){1|O<1>,2|H<1>,3|C<3>}	119.8345	0.158	2	119.8345	0.025	2	119.8345	0.025	2	119.8345	0.025	2	119.8345	0.025	2	119.8345	0.025	2
643	538	643	0:SP2_SP2_SPD5	C[6a]	Ge[5,3x6]	C[6a]	5:3:3:	3:3:3:3:3:	3:3:1:	Ge[5,3x6]-5:C[6a]-3:C[6a]-3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)(C[6a]C[6a]H)2	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2)	C[6a](C[6a]Ge[5,3x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)(C[6a]C[6a]H)2{2|H<1>,9|C<3>}	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2){13|C<3>,2|H<1>}	C[6a](C[6a]Ge[5,3x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,4|N<3>}	120.7985	0.674	2	120.7985	0.454	2	120.7985	0.454	2	120.7985	0.454	2	120.7985	0.454	2	120.7985	0.454	2
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a,6a]	3:3:3:	3:4:2:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[6a,6a](C[6,6a]C[6,6a]N[5,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5]){2|C<4>,4|C<3>,5|H<1>}	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[5,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	116.5200	0.000	1	116.5200	0.000	1	116.5200	0.000	1	116.5200	0.000	1	119.8095	21.642	2	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a,6a]	3:3:3:	4:3:3:	3:3:2:	C[6a,6a]-3:N[5,6]-3:C[6,6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]O[6])	N[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6a]C[6a,6a]C[6,6a])(C[5]C[5]O)	C[6a,6a](C[6,6a]C[6,6a]N[5,6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]O[6]){1|H<1>,1|O<1>,3|C<4>,4|C<3>}	N[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6a]C[6a,6a]C[6,6a])(C[5]C[5]O){1|N<2>,1|O<2>,2|N<3>,4|C<3>,4|H<1>}	C[6a,6a](C[6,6a]C[6,6a]N[5,6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	123.0990	0.000	1	123.0990	0.000	1	123.0990	0.000	1	123.0990	0.000	1	119.8095	21.642	2	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:2:4:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[5]-4:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]Cl)	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]Cl){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>}	119.4200	0.000	1	119.4200	0.000	1	119.4200	0.000	1	117.8440	0.789	5	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:2:4:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|O<2>,2|C<4>}	117.3770	0.000	1	117.4500	0.017	4	117.4500	0.017	4	117.8440	0.789	5	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:2:4:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|O<2>,2|C<4>}	117.5730	0.000	1	117.4500	0.017	4	117.4500	0.017	4	117.8440	0.789	5	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:2:4:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	117.5430	0.000	1	117.4500	0.017	4	117.4500	0.017	4	117.8440	0.789	5	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:2:4:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>}	117.3070	0.000	1	117.4500	0.017	4	117.4500	0.017	4	117.8440	0.789	5	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6]-3:C[6,6a]-3:P[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]P[5])(C[6a]C[6a]H)	N[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(P[5]C[5,6])	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]P[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	N[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(P[5]C[5,6]){1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|P<2>,3|C<3>}	120.2000	0.000	1	120.2000	0.000	1	120.2000	0.000	1	120.2010	0.000	2	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:P[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]P[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[6])(P[5]C[5,6])	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]P[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[6])(P[5]C[5,6]){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|P<2>,3|C<3>}	120.2020	0.000	1	120.2020	0.000	1	120.2020	0.000	1	120.2010	0.000	2	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6]-3:C[6,6a]-3:C[5,6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]2)(C[6a]C[6a]H)	N[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]P[5])	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]2)(C[6a]C[6a]H){1|N<3>,1|P<2>,2|H<1>,4|C<3>}	N[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]P[5]){1|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	120.2050	0.000	1	120.2050	0.000	1	120.2050	0.000	1	121.0286	2.167	20	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5,6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]2)(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[6])(C[5,6]C[6]P[5])	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]2)(C[6a]C[6a]H){1|N<3>,1|P<2>,3|C<3>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[6])(C[5,6]C[6]P[5]){3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	122.2210	0.000	1	122.2210	0.000	1	122.2210	0.000	1	121.0286	2.167	20	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[5]C[5]N)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<1>,5|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[5]C[5]N){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]Br)(H){1|H<1>,4|C<3>}	119.2430	0.000	1	119.2430	0.000	1	121.8413	1.531	10	121.0286	2.167	20	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]C[5,6]O)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]C[5,6]O){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	123.0440	0.045	2	123.0440	0.002	2	121.8413	1.531	10	121.0286	2.167	20	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]C)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,5|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]C){1|Se<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,4|C<3>}	122.3400	0.000	1	122.3400	0.000	1	121.8413	1.531	10	121.0286	2.167	20	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]H)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]H){1|Ru<6>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	121.7330	0.000	1	121.7330	0.000	1	121.8413	1.531	10	121.0286	2.167	20	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6])(C[5]N[5]S)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,1|S<1>,2|C<3>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6])(C[5]N[5]S){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	123.5080	0.000	1	123.5080	0.000	1	121.8413	1.531	10	121.0286	2.167	20	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]O)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]O){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	121.7310	0.000	1	121.7310	0.000	1	121.8413	1.531	10	121.0286	2.167	20	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]B[6]N[5])(C[5]N[5]H)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|B<4>,1|C<3>,1|N<2>,1|N<3>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]B[6]N[5])(C[5]N[5]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	121.2780	0.226	2	121.2780	0.051	2	121.8413	1.531	10	121.0286	2.167	20	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O){1|H<1>,1|S<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|O<2>,1|S<2>,3|C<3>}	121.2140	0.000	1	121.2140	0.000	1	121.8413	1.531	10	121.0286	2.167	20	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(N[5,6]N[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(C[5]C[5]H)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(N[5,6]N[5,6]C[5])(C[6a]C[6a]H){1|B<4>,1|N<3>,3|C<3>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(C[5]C[5]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6,6a]H)(H){2|C<3>,3|N<3>}	119.5595	0.288	2	119.5595	0.083	2	119.4042	0.036	6	121.0286	2.167	20	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]N[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]H)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]N[5,6]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.3890	0.000	1	119.3890	0.000	1	119.4042	0.036	6	121.0286	2.167	20	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(N[5,6]N[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(C[5]C[5]H)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[5,6]N[5,6]C[5])(C[6a]C[6a]H){1|B<4>,1|C<4>,3|C<3>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(C[5]C[5]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,2|N<3>}	119.2850	0.133	2	119.2850	0.018	2	119.4042	0.036	6	121.0286	2.167	20	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(N[5,6]N[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(C[5]C[5]H)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[5,6]N[5,6]C[5])(C[6a]C[6a]H){1|B<4>,1|O<2>,3|C<3>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(C[5]C[5]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|N<3>}	119.3470	0.000	1	119.3470	0.000	1	119.4042	0.036	6	121.0286	2.167	20	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]N[6]S[5])	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](N[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|S<2>,3|C<3>,3|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]N[6]S[5]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	122.6290	0.000	1	122.6290	0.000	1	121.6545	1.899	2	121.0286	2.167	20	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]N[5]N[6])	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](N[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,2|O<1>,3|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]N[5]N[6]){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	120.6800	0.000	1	120.6800	0.000	1	121.6545	1.899	2	121.0286	2.167	20	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]C)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]B[6]N[5])(C[5]C[5]H)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(CCCH)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]C){1|B<4>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]B[6]N[5])(C[5]C[5]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	120.0000	0.000	1	120.0000	0.000	1	120.0000	0.000	1	120.0000	0.000	1	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:B[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]B[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(B[5]C[5,6a]CC)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]B[5])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(B[5]C[5,6a]CC){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	120.9688	0.147	5	120.9688	0.022	5	120.9688	0.022	5	120.9326	1.069	12	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[5]C[5]HH)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[5]C[5]HH){3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.0490	0.000	1	120.0490	0.000	1	120.9067	1.944	7	120.9326	1.069	12	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]CH)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]CH){4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	121.2890	0.000	1	121.2890	0.000	1	120.9067	1.944	7	120.9326	1.069	12	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5])(C[5]Si[5]HH)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|Si<5>,1|O<2>,2|C<3>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5])(C[5]Si[5]HH){1|O<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.3040	0.000	1	120.3040	0.000	1	120.9067	1.944	7	120.9326	1.069	12	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5])(C[5]C[5]2H)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5])(C[5]C[5]2H){1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	121.6475	0.134	2	121.6475	0.018	2	120.9067	1.944	7	120.9326	1.069	12	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]CH)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]CH){1|N<2>,1|S<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	122.8520	0.000	1	122.8520	0.000	1	120.9067	1.944	7	120.9326	1.069	12	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]Ga[6]N[5])(C[5]C[5]HH)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|Ga<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]Ga[6]N[5])(C[5]C[5]HH){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	118.5580	0.000	1	118.5580	0.000	1	120.9067	1.944	7	120.9326	1.069	12	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:2:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]O[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(O[5]C[5,5])	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]O[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(O[5]C[5,5]){1|Br<1>,1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>}	117.6980	0.000	1	117.6980	0.000	1	117.6980	0.000	1	117.4828	0.110	10	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:2:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|O<2>,2|C<4>}	117.1850	0.000	1	117.3780	0.139	6	117.4589	0.117	9	117.4828	0.110	10	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:2:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|O<2>}	117.5740	0.000	1	117.3780	0.139	6	117.4589	0.117	9	117.4828	0.110	10	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:2:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|O<2>,2|C<4>}	117.2685	0.022	2	117.3780	0.139	6	117.4589	0.117	9	117.4828	0.110	10	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:2:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	118.0210	0.000	1	117.3780	0.139	6	117.4589	0.117	9	117.4828	0.110	10	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:2:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>}	116.9510	0.000	1	117.3780	0.139	6	117.4589	0.117	9	117.4828	0.110	10	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:2:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	117.3380	0.000	1	117.3380	0.000	1	117.4589	0.117	9	117.4828	0.110	10	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:2:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,3|C<4>}	117.7800	0.000	1	117.7620	0.001	2	117.4589	0.117	9	117.4828	0.110	10	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:2:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>}	117.7440	0.000	1	117.7620	0.001	2	117.4589	0.117	9	117.4828	0.110	10	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6,6a,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:B[5]-4:C[5,6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]B[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a,6a]C[6a])(B[5]C[5,6a]C[6a]2)(C[5,6]C[5,6a]N[6])	C[6a](C[6,6a]C[6,6a,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]B[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	N[5,6](C[6,6a]C[6,6a,6a]C[6a])(B[5]C[5,6a]C[6a]2)(C[5,6]C[5,6a]N[6]){2|H<1>,9|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	122.3790	0.000	1	122.3790	0.000	1	122.3790	0.000	1	122.7126	1.198	28	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6,6a,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O)	C[6a](C[6,6a]C[6,6a,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	N[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	123.3450	0.000	1	123.3450	0.000	1	123.3450	0.000	1	122.7126	1.198	28	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]O)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]O){2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	123.1780	0.000	1	121.8760	3.390	2	122.8087	1.325	23	122.7126	1.198	28	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]O)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]O){2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	120.5740	0.000	1	121.8760	3.390	2	122.8087	1.325	23	122.7126	1.198	28	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]H)(C[5]C[5]O)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]H)(C[5]C[5]O){4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	121.2760	0.000	1	121.2760	0.000	1	122.8087	1.325	23	122.7126	1.198	28	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5a,6]C[5]C)(C[5]C[5]O)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5a,6]C[5]C)(C[5]C[5]O){4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	122.8960	0.000	1	122.8960	0.000	1	122.8087	1.325	23	122.7126	1.198	28	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[6]H)(C[5]C[5,6]O)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|O<1>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[6]H)(C[5]C[5,6]O){3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	123.2660	0.000	1	123.2660	0.000	1	122.8087	1.325	23	122.7126	1.198	28	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	120.6940	0.000	1	120.6940	0.000	1	122.8087	1.325	23	122.7126	1.198	28	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|O<1>,3|C<3>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	122.6090	0.000	1	122.6090	0.000	1	122.8087	1.325	23	122.7126	1.198	28	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O){1|C<4>,2|C<3>,7|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	120.7740	0.000	1	122.5100	2.317	3	122.8087	1.325	23	122.7126	1.198	28	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O){4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	123.3780	0.337	2	122.5100	2.317	3	122.8087	1.325	23	122.7126	1.198	28	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]C)(C[5]C[6a]C[5])	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]C)(C[5]C[6a]C[5]){1|H<1>,1|O<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	123.0720	0.000	1	123.0720	0.000	1	122.8087	1.325	23	122.7126	1.198	28	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O){1|O<2>,3|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	123.7630	0.000	1	123.7630	0.000	1	122.8087	1.325	23	122.7126	1.198	28	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]O)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]F)(H)	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]F)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	123.4300	0.611	7	123.4300	0.373	7	122.8087	1.325	23	122.7126	1.198	28	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]O)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>}	122.2550	0.000	1	122.2550	0.000	1	122.8087	1.325	23	122.7126	1.198	28	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H){1|O<2>,1|S<2>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	121.2680	0.000	1	121.2680	0.000	1	122.8087	1.325	23	122.7126	1.198	28	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]H)(C[5]C[5]O)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]H)(C[5]C[5]O){1|N<3>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|N<3>}	123.9130	0.000	1	123.9130	0.000	1	122.8087	1.325	23	122.7126	1.198	28	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[5]C[6a]N[5])	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[5]C[6a]N[5]){1|H<1>,1|N<3>,1|S<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.2950	0.000	1	124.2950	0.000	1	122.8087	1.325	23	122.7126	1.198	28	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]N[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]N[5])(C[6a]C[6a]H){4|H<1>,5|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.4330	0.000	1	121.4330	0.000	1	121.8763	0.190	3	122.7126	1.198	28	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]N[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]N[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C){4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.0980	0.291	2	122.0980	0.085	2	121.8763	0.190	3	122.7126	1.198	28	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[6a](C[6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	N[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	125.2630	0.000	1	125.2630	0.000	1	125.2630	0.000	1	121.8948	1.868	37	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6,6a,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]N[6]C)(C[5]C[5]CH)	C[6a](C[6,6a]C[6,6a,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>,4|C<4>}	N[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]N[6]C)(C[5]C[5]CH){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	123.2200	0.000	1	123.2200	0.000	1	123.2200	0.000	1	121.8948	1.868	37	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]CC)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|C<4>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]CC){2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,3|C<4>}	120.4380	0.000	2	120.4380	0.000	2	121.7791	1.609	34	121.8948	1.868	37	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	124.4227	0.136	3	122.8907	2.982	6	121.7791	1.609	34	121.8948	1.868	37	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|I<1>,3|C<4>}	121.5100	0.000	1	122.8907	2.982	6	121.7791	1.609	34	121.8948	1.868	37	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,6|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,3|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	121.2830	0.868	2	122.8907	2.982	6	121.7791	1.609	34	121.8948	1.868	37	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[6a]C[5]H)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[6a]C[5]H){2|C<4>,4|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,3|C<4>}	120.6590	0.000	1	120.6590	0.000	1	121.7791	1.609	34	121.8948	1.868	37	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|H<1>,5|C<4>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH){1|C<4>,2|C<3>,7|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,3|C<4>}	121.4970	0.000	1	121.4970	0.000	1	121.7791	1.609	34	121.8948	1.868	37	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(C[5]C[5]CH)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(C[5]C[5]CH){3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	122.1965	0.286	2	122.1965	0.082	2	121.7791	1.609	34	121.8948	1.868	37	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	121.7685	0.011	2	121.5880	0.098	3	121.7791	1.609	34	121.8948	1.868	37	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,3|C<4>,6|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	121.2270	0.000	1	121.5880	0.098	3	121.7791	1.609	34	121.8948	1.868	37	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,3|C<4>}	121.4950	0.000	1	121.4950	0.000	1	121.7791	1.609	34	121.8948	1.868	37	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[6]H)(C[5]N[5,6]HH)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|N<3>,7|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[6]H)(C[5]N[5,6]HH){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	121.4950	0.000	1	121.4950	0.000	1	121.7791	1.609	34	121.8948	1.868	37	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,5|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH){1|C<4>,2|C<2>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,3|C<4>}	119.9057	0.627	4	119.9057	0.394	4	121.7791	1.609	34	121.8948	1.868	37	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|C<4>,3|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	121.2800	0.000	1	121.2800	0.000	1	121.7791	1.609	34	121.8948	1.868	37	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]N[5]H)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]N[5]H){4|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	121.8050	0.000	1	121.8050	0.000	1	121.7791	1.609	34	121.8948	1.868	37	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]C)(C[5]C[5]HH)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]C)(C[5]C[5]HH){3|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	122.8770	0.243	2	122.8770	0.059	2	121.7791	1.609	34	121.8948	1.868	37	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(C[5]C[5]HH)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,7|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(C[5]C[5]HH){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	121.9490	0.124	2	121.9490	0.015	2	121.7791	1.609	34	121.8948	1.868	37	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(C[5]C[6a]C[5]H)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(C[5]C[6a]C[5]H){1|N<3>,5|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	122.7030	0.389	2	122.7030	0.151	2	121.7791	1.609	34	121.8948	1.868	37	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|C<4>,6|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,3|C<4>}	120.9470	0.000	1	120.9470	0.000	1	121.7791	1.609	34	121.8948	1.868	37	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,4|C<4>,6|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,3|C<4>}	121.7900	0.000	1	121.7900	0.000	1	121.7791	1.609	34	121.8948	1.868	37	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	121.1030	0.000	1	121.1030	0.000	1	121.7791	1.609	34	121.8948	1.868	37	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[5]HH)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[5]HH){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	123.2280	0.000	1	123.2280	0.000	1	121.7791	1.609	34	121.8948	1.868	37	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH){1|N<3>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	123.1340	0.000	1	123.1340	0.000	1	121.7791	1.609	34	121.8948	1.868	37	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:P[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]P[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(P[5,6]N[6]O[5]S)(C[5]C[5]HH)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]P[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,1|S<1>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(P[5,6]N[6]O[5]S)(C[5]C[5]HH){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	121.1350	0.000	1	121.1350	0.000	1	121.1350	0.000	1	121.8948	1.868	37	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:4:	3:3:4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]C)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]Si[6]H)(C[5]C[5]CC)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(CCCH)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]C){1|Si<3>,1|C<3>,3|H<1>,6|C<4>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]Si[6]H)(C[5]C[5]CC){2|H<1>,3|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,3|C<4>}	119.0330	0.000	1	119.0330	0.000	1	119.3765	0.236	2	119.3765	0.236	2	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:4:	3:3:4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]C)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]Si[6]C[5]H)(C[5]C[5]CC)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(CCCH)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]C){1|Si<3>,1|C<3>,3|H<1>,6|C<4>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]Si[6]C[5]H)(C[5]C[5]CC){2|H<1>,3|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,3|C<4>}	119.7200	0.000	1	119.7200	0.000	1	119.3765	0.236	2	119.3765	0.236	2	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:5:3:	3:3:1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:In[5]-5:C[5,6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[5,6]C[5,6]In[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(In[5]N[5]O[5]Cl2)(C[5,6]C[5]C[6])	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](N[5,6]C[5,6]In[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|Cl<1>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(In[5]N[5]O[5]Cl2)(C[5,6]C[5]C[6]){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|In<5>,1|H<1>,3|C<3>}	119.8045	0.828	2	119.8045	0.686	2	119.8045	0.686	2	119.8045	0.686	2	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6,6,6a]-3:N[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[5,6]C[5,5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6,6a]C[6a])(C[5]C[5]O)	C[6a](C[6,6a]C[6,6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[5,6]C[5,5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,2|O<2>,5|C<4>}	N[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6,6a]C[6a])(C[5]C[5]O){1|C<4>,4|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6,6a]N[5,6])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	121.7020	0.000	1	121.7020	0.000	1	121.8637	0.200	4	121.4515	1.002	42	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6,6,6a]-3:N[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[5,6]C[5,5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6,6a]C[6a])(C[5]C[5]O)	C[6a](C[6,6a]C[6,6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[5,6]C[5,5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6,6a]C[6a])(C[5]C[5]O){3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	121.7355	0.605	2	121.7355	0.366	2	121.8637	0.200	4	121.4515	1.002	42	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6,6,6a]-3:N[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]N[5,6,6]C[6,6a])(N[5,6]C[5,5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6,6a]C[6,6,6a]C[6a])(C[5]C[5,6a]O)	C[6a](C[6,6a]C[6,6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]N[5,6,6]C[6,6a])(N[5,6]C[5,5,6]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,5|C<3>}	N[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6,6a]C[6,6,6a]C[6a])(C[5]C[5,6a]O){1|C<4>,1|H<1>,1|O<1>,2|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.2820	0.000	1	122.2820	0.000	1	121.8637	0.200	4	121.4515	1.002	42	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[5,4x6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(N[5,6]C[5,4x6]C[5])(C[6a]C[6a]H)	N[5,6](C[5,4x6]C[3,3x6]N[5,6,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(N[5,6]C[5,4x6]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	N[5,6](C[5,4x6]C[3,3x6]N[5,6,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	121.1590	0.000	1	121.1590	0.000	1	121.1590	0.000	1	121.4515	1.002	42	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[5,6]C[5,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,5,6]O)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	N[5,6](C[5,6]C[5,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,5,6]O){2|C<3>,4|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	120.9675	0.549	2	120.9675	0.302	2	121.7510	0.499	10	121.4515	1.002	42	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]O)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]O){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	121.7005	1.030	2	121.7668	0.579	4	121.7510	0.499	10	121.4515	1.002	42	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]O)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]O){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|I<1>,2|C<3>,2|C<4>}	121.2590	0.000	1	121.7668	0.579	4	121.7510	0.499	10	121.4515	1.002	42	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]O)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]O){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	122.4070	0.000	1	121.7668	0.579	4	121.7510	0.499	10	121.4515	1.002	42	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	121.7600	0.000	1	121.7600	0.000	1	121.7510	0.499	10	121.4515	1.002	42	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[5,6]C[5,5,6]N[5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]H)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5,5,6]N[5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>,3|N<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.2493	0.487	3	122.2493	0.237	3	121.7510	0.499	10	121.4515	1.002	42	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,4x6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[5,6]C[5,4x6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,4x6]C[5,6,6]N[5,6,6]C[3x6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](N[5,6]C[5,4x6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[5,6](C[5,4x6]C[5,6,6]N[5,6,6]C[3x6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){1|O<1>,3|C<3>,3|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	120.5630	0.000	1	120.5630	0.000	1	120.1434	0.291	7	121.4515	1.002	42	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,4x6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[5,6]C[5,4x6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,4x6]N[5,6,6]C[3x6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](N[5,6]C[5,4x6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	N[5,6](C[5,4x6]N[5,6,6]C[3x6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	120.1920	0.000	1	120.0735	0.308	6	120.1434	0.291	7	121.4515	1.002	42	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,4x6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[5,6]C[5,4x6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,4x6]N[5,6,6]C[3x6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](N[5,6]C[5,4x6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	N[5,6](C[5,4x6]N[5,6,6]C[3x6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	120.4350	0.294	3	120.0735	0.308	6	120.1434	0.291	7	121.4515	1.002	42	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,4x6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[5,6]C[5,4x6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,4x6]N[5,6,6]C[3x6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](N[5,6]C[5,4x6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,4x6]N[5,6,6]C[3x6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	119.4720	0.489	2	120.0735	0.308	6	120.1434	0.291	7	121.4515	1.002	42	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[5,6]C[5,5,6]C[5,6a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](N[5,6]C[5,5,6]C[5,6a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	N[5,6](C[5,5,6]C[5,6]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|N<3>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	121.2200	0.000	1	121.2200	0.000	1	121.2200	0.000	1	121.4515	1.002	42	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|O<1>,3|H<1>}	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	123.5860	0.000	1	123.5860	0.000	1	122.0288	0.566	13	121.4515	1.002	42	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]2)(H)	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	N[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){1|C<4>,4|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]2)(H){1|H<1>,2|C<4>,4|C<3>}	122.2580	0.000	1	122.2580	0.000	1	122.0288	0.566	13	121.4515	1.002	42	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	N[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){1|C<4>,4|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	122.5350	0.552	2	122.5350	0.304	2	122.0288	0.566	13	121.4515	1.002	42	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	122.6590	0.000	1	121.7178	0.328	9	122.0288	0.566	13	121.4515	1.002	42	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	122.5400	0.000	1	121.7178	0.328	9	122.0288	0.566	13	121.4515	1.002	42	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){2|C<3>,3|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	121.3585	0.644	2	121.7178	0.328	9	122.0288	0.566	13	121.4515	1.002	42	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	121.3605	0.028	2	121.7178	0.328	9	122.0288	0.566	13	121.4515	1.002	42	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	121.5520	0.000	1	121.7178	0.328	9	122.0288	0.566	13	121.4515	1.002	42	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	121.6355	0.305	2	121.7178	0.328	9	122.0288	0.566	13	121.4515	1.002	42	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,5]-4:C[6,6a]-3:C[5,6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[5,6]C[5,5]C[5,6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	N[5,6](C[5,5]C[5,6a]C[5,5]O)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](N[5,6]C[5,5]C[5,6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,5]C[5,6a]C[5,5]O)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]){1|O<2>,1|S<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	119.9865	0.118	2	119.9865	0.014	2	119.9865	0.014	2	121.4515	1.002	42	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[5,6]C[5,6,6]C[5,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](N[5,6]C[5,6,6]C[5,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	120.0850	0.000	1	120.0850	0.000	1	120.0850	0.000	1	121.4515	1.002	42	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[5,6]C[5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](N[5,6]C[5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	120.9300	0.000	1	120.9300	0.000	1	121.6125	0.932	2	121.4515	1.002	42	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[5,6]C[5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](N[5,6]C[5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	122.2950	0.000	1	122.2950	0.000	1	121.6125	0.932	2	121.4515	1.002	42	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6]C[6a]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](N[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	N[5,6](C[5,6]C[6a]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){3|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	122.9580	0.000	1	122.9580	0.000	1	122.9580	0.000	1	121.4515	1.002	42	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[4,5,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](N[5,6]C[4,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	N[5,6](C[4,5,6]C[4,5]C[4,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(CH3)	C[6,6a](N[5,6]C[4,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	N[5,6](C[4,5,6]C[4,5]C[4,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){2|C<3>,2|H<1>,5|C<4>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	120.9735	0.074	2	120.9735	0.006	2	120.9735	0.006	2	120.9735	0.006	2	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	B[5,6,6]-4:C[6,6a]-3:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[5,6]B[5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](B[5,6,6]C[5,6a]N[6,6]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]HH)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](N[5,6]B[5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	N[5,6](B[5,6,6]C[5,6a]N[6,6]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]HH){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	123.3430	0.000	1	123.3430	0.000	1	123.3430	0.000	1	121.7740	4.924	2	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[5,6]C[5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]O[6a]C)(H)	C[6,6a](N[5,6]C[5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|O<1>,6|C<4>}	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH){2|C<4>,3|C<3>,8|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]O[6a]C)(H){2|C<3>,2|C<4>}	120.2050	0.000	1	120.2050	0.000	1	120.2050	0.000	1	121.7740	4.924	2	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6a]	3:3:3:	6:3:3:	3:3:1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	Nb[5,6]-6:C[5,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[5,6]C[5,6a]Nb[5,6])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	N[5,6](Nb[5,6]N[6]P[5]Cl2N)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](N[5,6]C[5,6a]Nb[5,6])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){2|Cl<1>,1|N<2>,1|N<3>,1|P<4>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](Nb[5,6]N[6]P[5]Cl2N)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|P<4>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|Nb<6>,1|C<4>,1|P<4>,2|C<3>}	120.7410	1.000	2	120.7410	1.000	2	120.7410	1.000	2	120.7410	1.000	2	121.2490	3.011	167	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5,5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5,5]-3:C[6a]-3:C[6a]-3:	P[4,5,5]-3:C[5,5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[5,5]P[4,5,5]C[5,5])(C[6a]C[6a]2)2	N[5,5](P[4,5,5]C[4,5]N[4,5])(C[5,5]P[4,5,5]N)(C[6a]C[6a]2)	C[6a](C[6a]N[5,5]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[5,5]P[4,5,5]C[5,5])(C[6a]C[6a]2)2{1|N<2>,1|N<3>,1|P<3>,2|H<1>,6|C<3>}	N[5,5](P[4,5,5]C[4,5]N[4,5])(C[5,5]P[4,5,5]N)(C[6a]C[6a]2){1|N<2>,5|C<3>}	C[6a](C[6a]N[5,5]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|P<3>,2|C<4>,5|C<3>}	119.8115	1.050	2	119.8115	1.103	2	119.8115	1.103	2	119.8115	1.103	2	120.4959	2.343	16	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5,5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5,5]-3:C[6a]-3:C[6a]-3:	P[3,5,5]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5,5]P[3,5,5]C[5,5])(C[6a]C[6a]C)2	N[5,5](P[3,5,5]P[3,3,5]2)(C[5,5]C[3,5,5]CH)(C[6a]C[6a]2)	C[6a](C[6a]N[5,5]C[6a])(C[6a]C[6a]H)(CCCH)	C[6a](N[5,5]P[3,5,5]C[5,5])(C[6a]C[6a]C)2{1|C<4>,2|C<3>,2|P<3>,3|H<1>}	N[5,5](P[3,5,5]P[3,3,5]2)(C[5,5]C[3,5,5]CH)(C[6a]C[6a]2){1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]N[5,5]C[6a])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,1|P<3>,2|C<4>}	119.2075	0.035	2	119.2075	0.001	2	119.2075	0.001	2	119.2075	0.001	2	120.4959	2.343	16	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5,5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	N[5,5]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5,5]C[5,5,6]2)(C[6a]C[6a]H)2	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(C[6a]C[6a]2)	C[6a](C[6a]N[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](N[5,5]C[5,5,6]2)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](C[6a]N[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.8695	3.147	2	120.8695	9.906	2	121.1455	1.761	10	121.1455	1.761	10	120.4959	2.343	16	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5,5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	N[5,5]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5,5]C[5,5,6]2)(C[6a]C[6a]H)2	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(C[6a]C[6a]2)	C[6a](C[6a]N[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](N[5,5]C[5,5,6]2)(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]N[5,5]C[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	120.9595	1.042	2	120.9595	1.085	2	121.1455	1.761	10	121.1455	1.761	10	120.4959	2.343	16	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5,5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	N[5,5]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5,5]C[5,5,6]2)(C[6a]C[6a]H)2	N[5,5](C[5,5,6]C[5,6]S[5,6]H)2(C[6a]C[6a]2)	C[6a](C[6a]N[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](N[5,5]C[5,5,6]2)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|S<2>,4|H<1>}	N[5,5](C[5,5,6]C[5,6]S[5,6]H)2(C[6a]C[6a]2){2|C<3>,6|H<1>}	C[6a](C[6a]N[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	121.2995	0.948	6	121.2995	0.898	6	121.1455	1.761	10	121.1455	1.761	10	120.4959	2.343	16	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5,5]	C[6a]	3:3:3:	4:4:3:	3:3:4:	N[5,5]-3:C[6a]-3:C[6a]-3:	Si[5,5,6]-4:C[5,5,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5,5]Si[5,5,6]C[5,5,6])(C[6a]C[6a]C)2	N[5,5](Si[5,5,6]N[5,6]S[5,6]N)(C[5,5,6]C[5,6]S[5,6]H)(C[6a]C[6a]2)	C[6a](C[6a]N[5,5]C[6a])(C[6a]C[6a]H)(CCCH)	C[6a](N[5,5]Si[5,5,6]C[5,5,6])(C[6a]C[6a]C)2{1|N<2>,1|N<3>,2|C<3>,2|S<2>,3|H<1>}	N[5,5](Si[5,5,6]N[5,6]S[5,6]N)(C[5,5,6]C[5,6]S[5,6]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]N[5,5]C[6a])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	119.2205	2.543	2	119.2205	6.469	2	119.2205	6.469	2	119.2205	6.469	2	120.4959	2.343	16	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:2:1:	N[5,6]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)(C[6a]N[6a]H)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]N[5,6]C[6a])(N[6a]C[6a])(H)	C[6a](N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(C[6a]C[6a]2){1|C<3>,1|C<4>,1|N<2>,1|O<2>,6|H<1>}	C[6a](C[6a]N[5,6]C[6a])(N[6a]C[6a])(H){1|C<4>,2|C<3>,2|H<1>}	121.8640	0.000	1	121.8640	0.000	1	121.8640	0.000	1	121.8640	0.000	1	119.7978	3.823	6	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)(C[6a]N[6a]H)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]N[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(C[6a]C[6a]2){1|C<3>,1|C<4>,1|N<2>,1|O<2>,6|H<1>}	C[6a](C[6a]N[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	119.8910	0.000	1	119.8910	0.000	1	119.7723	0.086	3	119.7723	0.086	3	119.7978	3.823	6	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	N[5,6](C[5,5,6]C[5,6]S[5,5]C)(C[5,6]C[5,5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]N[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,1|S<2>,2|H<1>,3|C<4>}	N[5,6](C[5,5,6]C[5,6]S[5,5]C)(C[5,6]C[5,5,6]O)(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]N[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.7130	0.389	2	119.7130	0.151	2	119.7723	0.086	3	119.7723	0.086	3	119.7978	3.823	6	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5,6]-3:C[6a]-3:C[6a]-3:	Si[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5,6]Si[5,5,6]C[5,6])(C[6a]C[6a]C)2	N[5,6](Si[5,5,6]N[5,5]S[5,6]N)(C[5,6]C[5,5,6]H)(C[6a]C[6a]2)	C[6a](C[6a]N[5,6]C[6a])(C[6a]C[6a]H)(CCCH)	C[6a](N[5,6]Si[5,5,6]C[5,6])(C[6a]C[6a]C)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|H<1>}	N[5,6](Si[5,5,6]N[5,5]S[5,6]N)(C[5,6]C[5,5,6]H)(C[6a]C[6a]2){1|H<1>,1|S<2>,2|C<4>,3|C<3>}	C[6a](C[6a]N[5,6]C[6a])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	118.8030	3.562	2	118.8030	12.691	2	118.8030	12.691	2	118.8030	12.691	2	119.7978	3.823	6	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6,6a]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6,6a]C[6a])(C[5]N[5]Rh)(C[5]C[5]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[5])(O[6]C[6,6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(N[5]C[5]2){1|Rh<6>,1|H<1>,1|N<3>,2|C<4>,3|C<3>}	N[5](C[6a]C[6,6a]C[6a])(C[5]N[5]Rh)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[5])(O[6]C[6,6a]){2|C<4>,2|H<1>,5|C<3>}	120.6980	1.732	2	120.6980	3.001	2	120.6980	3.001	2	120.6980	3.001	2	119.9676	2.400	14	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6,6a]C[6a])(C[5]C[5]O)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[5])(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(N[5]C[5]2){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	N[5](C[6a]C[6,6a]C[6a])(C[5]C[5]O)2{1|N<3>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[5])(N[6]C[6]H){4|C<3>,4|H<1>}	120.2820	0.000	1	120.2820	0.000	1	120.2820	0.000	1	119.1153	0.535	9	119.9676	2.400	14	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6,6a]C[6a])(C[5]C[5]H)(C[5]N[5]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]N[5])	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	N[5](C[6a]C[6,6a]C[6a])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]N[5]){1|N<3>,4|C<3>,8|H<1>}	118.9695	0.626	8	118.9695	0.392	8	118.9695	0.392	8	119.1153	0.535	9	119.9676	2.400	14	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6,6a]	3:3:3:	3:4:3:	3:3:4:	C[6,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[5,5]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6,6a]C[6,6a]C[6])(N[5]C[5,5]C[5])(C[6a]C[6a]H)	N[5](C[6a]C[6,6a]C[6a])(C[5,5]C[5]2O[5])(C[5]C[5]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[5])(C[6]C[5]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[5]C[5,5]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>,2|O<2>,5|C<4>}	N[5](C[6a]C[6,6a]C[6a])(C[5,5]C[5]2O[5])(C[5]C[5]O){2|C<4>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[5])(C[6]C[5]C[6]O){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	123.5520	0.000	1	123.5520	0.000	1	123.5520	0.000	1	123.5520	0.000	1	119.9676	2.400	14	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6,6a]	3:3:3:	3:4:4:	3:3:4:	C[6,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(N[5]C[5]2)	N[5](C[6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6a]C[6a]N[5])(C[6]S[6]HH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(N[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,6|H<1>}	N[5](C[6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|C<2>,1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6a]C[6a]N[5])(C[6]S[6]HH){1|C<2>,2|C<4>,3|C<3>}	121.2800	0.146	2	121.2800	0.021	2	121.2800	0.021	2	121.2800	0.021	2	119.9676	2.400	14	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:2:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a,6a]N[6a])(C[5]C[5]O)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(N[5]C[5]2){1|H<1>,2|C<4>,2|O<1>,4|C<3>}	N[5](C[6a]C[6a,6a]N[6a])(C[5]C[5]O)2{3|C<3>,4|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]N[5])(C[6a]C[6a]H){1|I<1>,2|H<1>,4|C<3>}	121.2070	0.000	1	121.2070	0.000	1	121.2070	0.000	1	121.2070	0.000	1	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]H)(N[5]N[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5]C[5]N[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]H)(N[5]N[5]){1|Ir<8>,1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	122.2260	0.000	1	122.2260	0.000	1	122.2260	0.000	1	122.2260	0.000	1	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[3,5]O)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,2|C<4>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[3,5]O)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a]){4|C<3>,4|H<1>}	118.4310	0.000	1	118.4310	0.000	1	118.7546	0.516	13	118.7546	0.516	13	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6,6]O)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,2|C<4>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6,6]O)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a]){4|C<3>,4|H<1>}	118.2120	0.000	1	118.2120	0.000	1	118.7546	0.516	13	118.7546	0.516	13	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C)(C[5]C[5,6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,1|O<1>,6|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C)(C[5]C[5,6a]O){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a]){4|C<3>,4|H<1>}	119.8305	0.684	2	119.8305	0.468	2	118.7546	0.516	13	118.7546	0.516	13	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]N)(C[5]C[5,6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,1|N<2>,1|O<1>,5|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]N)(C[5]C[5,6a]O){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a]){4|C<3>,4|H<1>}	118.0730	0.330	2	118.0730	0.109	2	118.7546	0.516	13	118.7546	0.516	13	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,2|O<1>,5|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)2{1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a]){4|C<3>,4|H<1>}	118.9240	0.079	2	118.9240	0.006	2	118.7546	0.516	13	118.7546	0.516	13	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(C[5]C[5]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(C[5]C[5]O){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a]){4|C<3>,4|H<1>}	119.6790	0.000	1	119.6790	0.000	1	118.7546	0.516	13	118.7546	0.516	13	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]O)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6,6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,2|O<1>,5|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]O)2{1|N<2>,2|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6,6a]){3|H<1>,5|C<3>}	118.7080	0.000	1	118.7080	0.000	1	118.7546	0.516	13	118.7546	0.516	13	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]O)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,2|C<4>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]O)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a]){4|C<3>,4|H<1>}	118.0630	0.199	2	118.3750	0.312	3	118.7546	0.516	13	118.7546	0.516	13	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]O)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,2|C<4>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]O)2{1|N<2>,2|C<3>,5|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a]){4|C<3>,4|H<1>}	118.9990	0.000	1	118.3750	0.312	3	118.7546	0.516	13	118.7546	0.516	13	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(N[5]C[5]2)	N[5](C[6a]C[6a,6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a,6a](C[6a]C[6a,6a]N[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(N[5]C[5]2){1|N<3>,4|H<1>,6|C<3>}	N[5](C[6a]C[6a,6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Ru<9>,1|H<1>,4|C<3>}	C[6a,6a](C[6a]C[6a,6a]N[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	118.2700	0.548	6	118.2700	0.301	6	118.2700	0.301	6	119.3439	3.309	29	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]N[5]Pd)(C[5]C[5]H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|Pd<4>,1|N<3>,3|H<1>,4|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	119.4380	0.324	2	119.4380	0.105	2	119.4380	0.105	2	119.3439	3.309	29	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]Ir)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]N[5]Ir)(C[5]C[5]H)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]Ir)(N[5]C[5]2){1|N<3>,3|H<1>,4|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H){1|Ir<6>,1|H<1>,6|C<3>}	123.5745	0.043	2	123.5745	0.002	2	123.5745	0.002	2	119.3439	3.309	29	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6,6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]N[5]Se)(C[5]C[5]H)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a,6a]C)	C[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|Se<1>,1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]N[5]Se)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a,6a]C){1|H<1>,1|N<3>,6|C<3>}	122.1780	0.000	1	122.1780	0.000	1	122.1780	0.000	1	119.3439	3.309	29	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,5,6]O)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]N[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,5,6]O)2{2|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]N[5]){3|H<1>,5|C<3>}	119.4110	0.000	1	119.4110	0.000	1	118.9078	0.177	11	119.3439	3.309	29	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,5,6]O)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,5,6]O)2{2|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	119.0340	0.098	2	119.0340	0.010	2	118.9078	0.177	11	119.3439	3.309	29	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6,6]O)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6,6]O)2{2|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	119.3950	0.000	1	119.3950	0.000	1	118.9078	0.177	11	119.3439	3.309	29	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2){2|H<1>,2|O<1>,5|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)2{1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	118.6875	0.479	4	118.6875	0.229	4	118.9078	0.177	11	119.3439	3.309	29	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]O)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]N[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]O)2{3|C<3>,5|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]N[5]){3|H<1>,5|C<3>}	118.4050	0.000	1	118.4050	0.000	1	118.9078	0.177	11	119.3439	3.309	29	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]O)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]O)2{3|C<3>,5|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	119.1980	0.000	1	119.1980	0.000	1	118.9078	0.177	11	119.3439	3.309	29	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]N[5]Ir)(C[5]C[5]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|Ir<6>,1|N<3>,3|H<1>,4|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,3|H<1>,4|C<3>}	118.7590	0.000	1	118.7590	0.000	1	118.9078	0.177	11	119.3439	3.309	29	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5]C[5,6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]N[5]H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5]C[5,6a]C[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]N[5]H){1|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	119.3500	0.000	1	119.3500	0.000	1	119.3500	0.000	1	119.3439	3.309	29	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(N[5]C[5,6a]C[5])(C[6a]C[6a]Ir)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]N[5]Ir)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(N[5]C[5,6a]C[5])(C[6a]C[6a]Ir){1|N<3>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]N[5]Ir){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H){1|Ir<6>,1|H<1>,6|C<3>}	124.3420	0.000	1	124.3420	0.000	1	124.3420	0.000	1	119.3439	3.309	29	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(C[6a]C[6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]N[5]Pd)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(C[6a]C[6a]C[5]){1|Pd<4>,1|O<2>,2|H<1>,2|N<3>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]N[5]Pd){1|C<4>,1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	119.6770	0.000	1	119.6770	0.000	1	118.2946	1.478	5	119.3439	3.309	29	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(C[6a]C[6a]P)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]N[5]Pd)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(C[6a]C[6a]P){1|Pd<4>,1|N<3>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]N[5]Pd){1|C<4>,1|H<1>,1|P<4>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H){1|P<4>,3|H<1>,4|C<3>}	118.4630	0.421	3	117.9490	1.175	4	118.2946	1.478	5	119.3439	3.309	29	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(C[6a]C[6a]P)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]N[5]Pd)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(C[6a]C[6a]P){1|Pd<5>,1|N<3>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]N[5]Pd){1|C<4>,1|H<1>,1|P<4>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H){1|P<4>,3|H<1>,4|C<3>}	116.4070	0.000	1	117.9490	1.175	4	118.2946	1.478	5	119.3439	3.309	29	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(C[6a]C[6a]P)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(C[6a]C[6a]P){1|C<4>,4|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH){1|P<4>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|P<4>,3|C<3>,3|H<1>}	121.3950	0.000	1	121.3950	0.000	1	121.3950	0.000	1	121.3950	0.000	1	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:4:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,2|C<3>,2|H<1>,3|C<4>}	118.0355	0.431	6	118.0355	0.186	6	118.6641	0.641	12	118.6641	0.641	12	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:4:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(N[5]C[5]2){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]){1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	119.2927	0.526	6	119.2927	0.276	6	118.6641	0.641	12	118.6641	0.641	12	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:4:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|O<1>,2|H<1>,6|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]O){1|H<1>,1|N<2>,1|S<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a]){1|C<4>,3|C<3>,4|H<1>}	119.9430	0.000	1	119.9430	0.000	1	119.5700	0.067	4	119.5142	0.100	6	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:4:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a]){1|C<4>,3|C<3>,4|H<1>}	119.5110	0.000	1	119.5110	0.000	1	119.5700	0.067	4	119.5142	0.100	6	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:4:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O){1|H<1>,1|N<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a]){1|C<4>,3|C<3>,4|H<1>}	119.4750	0.000	1	119.4750	0.000	1	119.5700	0.067	4	119.5142	0.100	6	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:4:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|O<1>,3|H<1>,5|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a]){1|C<4>,3|C<3>,4|H<1>}	119.3510	0.000	1	119.3510	0.000	1	119.5700	0.067	4	119.5142	0.100	6	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:4:3:	3:3:2:	C[6a,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[5,6]-4:C[5]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[5]C[5,6]C[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[5]C[5,6]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	N[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5]O){1|C<4>,1|N<2>,1|N<3>,3|C<3>,8|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a]){1|C<4>,3|C<3>,4|H<1>}	119.4025	0.513	2	119.4025	0.263	2	119.4025	0.263	2	119.5142	0.100	6	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:4:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(N[5]C[5]2)	N[5](C[6a]C[6a,6a]2)(C[5]C[5]HH)(C[5]N[5]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(N[5]C[5]2){1|C<4>,1|N<3>,2|N<2>,4|C<3>,4|H<1>}	N[5](C[6a]C[6a,6a]2)(C[5]C[5]HH)(C[5]N[5]N){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	119.9030	2.150	2	119.9030	4.621	2	119.9030	4.621	2	118.0137	2.240	26	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:4:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5,6]-4:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(N[5]C[5,6]C[5])	N[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]N[5]Ir)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(N[5]C[5,6]C[5]){1|Ir<6>,1|N<3>,3|C<3>,4|C<4>,4|H<1>}	N[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]N[5]Ir){3|C<4>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	115.7730	0.000	1	115.7730	0.000	1	115.7730	0.000	1	118.0137	2.240	26	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:4:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]O[5]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]2){1|N<2>,1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]O[5]O){2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	118.9510	0.000	1	118.9510	0.000	1	117.8563	1.805	21	118.0137	2.240	26	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:4:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]H){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	117.0170	0.055	2	117.0170	0.003	2	117.8563	1.805	21	118.0137	2.240	26	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:4:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]Pd)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[5]C[5]2){1|Pd<5>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]Pd){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	117.0805	0.548	2	117.0805	0.300	2	117.8563	1.805	21	118.0137	2.240	26	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:4:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]Ru)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[5]C[5]2){1|Ru<5>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]Ru){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	116.8660	0.322	2	116.8660	0.104	2	117.8563	1.805	21	118.0137	2.240	26	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:4:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]Pd)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[5]C[5]2){1|Pd<5>,1|C<4>,1|N<3>,3|H<1>,4|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]Pd){1|C<4>,1|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	117.8270	1.576	3	117.8270	2.484	3	117.8563	1.805	21	118.0137	2.240	26	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:4:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]Ir)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(N[5]C[5]2){1|Ir<6>,1|N<3>,3|C<3>,3|C<4>,5|H<1>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]Ir){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	115.9435	0.654	2	115.9435	0.428	2	117.8563	1.805	21	118.0137	2.240	26	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:4:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]Ru)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(N[5]C[5]2){1|Ru<5>,1|N<3>,3|C<3>,3|C<4>,5|H<1>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]Ru){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	117.5400	0.150	2	117.5400	0.022	2	117.8563	1.805	21	118.0137	2.240	26	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:4:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|N<2>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]O){3|C<3>,5|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	120.8830	0.000	1	120.8830	0.000	1	117.8563	1.805	21	118.0137	2.240	26	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:4:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]N[5]CC)(C[5]N[5]S)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|S<1>,2|C<4>,2|H<1>,2|N<2>,3|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]N[5]CC)(C[5]N[5]S){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	118.6400	0.000	1	118.6400	0.000	1	117.8563	1.805	21	118.0137	2.240	26	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:4:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(N[5]C[5]2){1|N<3>,3|C<3>,3|C<4>,5|H<1>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]H){1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	117.9170	0.000	1	117.9170	0.000	1	117.8563	1.805	21	118.0137	2.240	26	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:4:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]Pd)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(N[5]C[5]2){1|Pd<6>,1|N<3>,3|C<3>,3|C<4>,4|H<1>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]Pd){1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	119.0540	0.700	4	119.0540	0.489	4	117.8563	1.805	21	118.0137	2.240	26	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:4:3:	3:3:3:	C[6a,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:B[5]-4:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5]B[5]C[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a,6a]C[6a])(B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5]B[5]C[5])(C[6a]C[6a]H){3|H<1>,7|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H){1|H<1>,9|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H){1|B<4>,3|C<3>,4|H<1>}	118.8975	1.013	2	118.8975	1.027	2	118.8975	1.027	2	118.0137	2.240	26	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:3:3:	4:3:3:	3:3:2:	C[6a,6a]-3:N[5]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[5]C[5,5]C[5])(C[6a]C[6a]H)	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O){1|N<2>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a]){1|C<4>,3|C<3>,4|H<1>}	118.3500	0.877	2	118.3500	0.769	2	118.3500	0.769	2	118.6760	0.703	3	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:3:3:	4:3:3:	3:3:2:	C[6a,6a]-3:N[5]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[5]C[5,6]C[5])(C[6a]C[6a]H)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[5]C[5,6]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,7|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O){1|H<1>,1|N<2>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a]){1|C<4>,3|C<3>,4|H<1>}	119.3280	0.000	1	119.3280	0.000	1	119.3280	0.000	1	118.6760	0.703	3	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a,6a]	3:3:3:	4:3:3:	3:3:3:	C[6a,6a]-3:N[5]-3:C[6a]-3:	Se[5,5]-4:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5]Se[5,5]C[5])(C[6a]C[6a]H)	N[5](Se[5,5]C[5,6a]2N[5])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5]Se[5,5]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	N[5](Se[5,5]C[5,6a]2N[5])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O){1|H<1>,9|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H){1|Se<4>,3|C<3>,4|H<1>}	120.5580	0.170	2	120.5580	0.029	2	120.5580	0.029	2	120.5580	0.029	2	118.8954	2.381	94	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	2:3:3:	3:3:3:	3:2:1:	N[6a]-2:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:N[6a]-2:Cl-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]N[6a]N[5])(N[6a]C[6a,6a])(Cl)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(N[5]C[5]2){1|N<3>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[6a]N[5])(N[6a]C[6a,6a])(Cl){4|C<3>}	122.3770	0.000	1	122.3770	0.000	1	122.3770	0.000	1	122.3770	0.000	1	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	2:3:3:	3:3:3:	3:3:1:	N[6a]-2:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Rh)(C[5]C[5]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6,6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(N[5]C[5]2){1|Rh<6>,2|C<3>,2|H<1>,2|N<3>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Rh)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6,6a]H)(H){4|C<3>}	121.1540	0.000	1	121.1540	0.000	1	120.0678	1.464	6	120.0678	1.464	6	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	2:3:3:	3:3:3:	3:3:1:	N[6a]-2:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[5])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[5])(H){4|C<3>}	118.8050	0.000	1	118.8050	0.000	1	120.0678	1.464	6	120.0678	1.464	6	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	2:3:3:	3:3:3:	3:3:1:	N[6a]-2:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[5])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2){1|Pd<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[5])(H){4|C<3>}	119.1600	0.933	2	119.8427	1.834	3	120.0678	1.464	6	120.0678	1.464	6	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	2:3:3:	3:3:3:	3:3:1:	N[6a]-2:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[5])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2){1|Pd<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[5])(H){4|C<3>}	121.2080	0.000	1	119.8427	1.834	3	120.0678	1.464	6	120.0678	1.464	6	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	2:3:3:	3:3:3:	3:3:1:	N[6a]-2:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[5])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2){1|Rh<6>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Rh)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[5])(H){4|C<3>}	120.9200	0.000	1	120.9200	0.000	1	120.0678	1.464	6	120.0678	1.464	6	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	2:3:3:	3:4:3:	3:3:1:	N[6a]-2:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[6a]S[5]H)(C[5]C[5]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[5])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[6a]S[5]H)(C[5]C[5]O){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[5])(H){1|C<4>,3|C<3>}	121.9920	0.000	1	121.9920	0.000	1	121.9920	0.000	1	121.9920	0.000	1	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	2:3:3:	3:4:4:	3:3:1:	N[6a]-2:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[5])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|N<2>,2|C<4>,5|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)2{2|C<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[5])(H){2|C<3>,2|C<4>}	120.0385	0.284	2	120.0385	0.080	2	120.0385	0.080	2	120.0385	0.080	2	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:3:2:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-3:C[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5])	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|N<3>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,2|C<3>}	120.5190	0.141	2	121.0599	0.580	8	121.0599	0.580	8	121.0599	0.580	8	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:3:2:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-3:C[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5])	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){2|C<3>,2|H<1>,2|N<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,2|C<3>}	121.2402	0.808	6	121.0599	0.580	8	121.0599	0.580	8	121.0599	0.580	8	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5,5,6]O)2	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5,5,6]O)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	119.5975	0.062	2	119.5975	0.004	2	120.9284	2.395	121	120.9284	2.395	121	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]O)2	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]O)2{1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	118.8240	0.000	1	119.5500	0.455	4	120.9284	2.395	121	120.9284	2.395	121	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]O)2	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]O)2{1|H<1>,4|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	120.1580	0.000	1	119.5500	0.455	4	120.9284	2.395	121	120.9284	2.395	121	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]O)2	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]O)2{1|H<1>,4|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	119.6090	0.679	2	119.5500	0.455	4	120.9284	2.395	121	120.9284	2.395	121	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]C)(C[5]N[5]C)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]C)(C[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	119.2600	0.000	1	119.2600	0.000	1	120.9284	2.395	121	120.9284	2.395	121	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	120.9315	0.062	2	120.9315	0.004	2	120.9284	2.395	121	120.9284	2.395	121	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|Br<1>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	121.1150	0.000	1	121.2641	1.527	79	120.9284	2.395	121	120.9284	2.395	121	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	120.5540	0.000	1	121.2641	1.527	79	120.9284	2.395	121	120.9284	2.395	121	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	120.6184	0.183	5	121.2641	1.527	79	120.9284	2.395	121	120.9284	2.395	121	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){1|Co<8>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	120.6830	0.000	1	121.2641	1.527	79	120.9284	2.395	121	120.9284	2.395	121	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	120.3370	0.433	2	121.2641	1.527	79	120.9284	2.395	121	120.9284	2.395	121	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|N<3>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	120.4490	0.000	1	121.2641	1.527	79	120.9284	2.395	121	120.9284	2.395	121	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){2|C<3>,2|N<3>,3|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	121.3720	1.297	68	121.2641	1.527	79	120.9284	2.395	121	120.9284	2.395	121	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]N[6a]N[5])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|N<2>,2|N<3>,3|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){2|C<3>,3|H<1>}	C[6a](C[6a]N[6a]N[5])2(H){5|C<3>}	120.6403	0.358	7	120.6403	0.128	7	120.9284	2.395	121	120.9284	2.395	121	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]S)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|S<1>,2|C<3>,2|H<1>,2|N<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]S){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	122.7970	0.645	2	122.9903	0.320	3	120.9284	2.395	121	120.9284	2.395	121	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]S)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|S<2>,2|C<3>,2|H<1>,2|N<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]S){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	123.3770	0.000	1	122.9903	0.320	3	120.9284	2.395	121	120.9284	2.395	121	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|Fe<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Fe)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	119.1650	0.000	1	119.1650	0.000	1	120.9284	2.395	121	120.9284	2.395	121	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]H)2	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]H)2{1|Co<6>,1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	120.6680	0.000	1	120.7507	0.333	3	120.9284	2.395	121	120.9284	2.395	121	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]H)2	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|N<2>,2|N<3>,3|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]H)2{1|Cd<6>,1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	120.2190	0.000	1	120.7507	0.333	3	120.9284	2.395	121	120.9284	2.395	121	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]H)2	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|N<2>,2|N<3>,3|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]H)2{1|Co<6>,1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	121.3650	0.000	1	120.7507	0.333	3	120.9284	2.395	121	120.9284	2.395	121	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	121.2170	1.200	3	121.6328	1.289	6	120.9284	2.395	121	120.9284	2.395	121	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	120.7510	0.000	1	121.6328	1.289	6	120.9284	2.395	121	120.9284	2.395	121	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Pd)(C[5]C[5]H){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	122.6975	0.037	2	121.6328	1.289	6	120.9284	2.395	121	120.9284	2.395	121	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|Pd<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	117.3100	0.000	2	117.3100	0.000	2	120.9284	2.395	121	120.9284	2.395	121	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Pt)(C[5]C[5]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|Pt<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Pt)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	117.0170	5.275	2	117.0170	27.826	2	120.9284	2.395	121	120.9284	2.395	121	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Rh)(C[5]C[5]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|Rh<6>,1|Si<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Rh)(C[5]C[5]H){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	121.6680	0.000	1	121.6680	0.000	1	120.9284	2.395	121	120.9284	2.395	121	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|Ru<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Ru)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	119.0248	0.749	6	119.0248	0.561	6	120.9284	2.395	121	120.9284	2.395	121	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Se)(C[5]C[5]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|Se<2>,2|C<3>,2|H<1>,2|N<3>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Se)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	123.4090	0.000	1	123.4090	0.000	1	120.9284	2.395	121	120.9284	2.395	121	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(N[5]C[5]2){1|Pd<7>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Pd)(C[5]C[5]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,2|C<3>}	121.4130	0.000	1	121.4130	0.000	1	120.9284	2.395	121	120.9284	2.395	121	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5,5,6]O)2	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5,5,6]O)2{2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	120.1962	0.374	5	120.1962	0.140	5	120.1548	1.059	17	120.1548	1.059	17	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6,6]O)2	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6,6]O)2{2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	119.0690	0.000	1	119.0690	0.000	1	120.1548	1.059	17	120.1548	1.059	17	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	121.2090	0.000	1	121.2046	1.425	5	120.1548	1.059	17	120.1548	1.059	17	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	120.1845	0.807	2	121.2046	1.425	5	120.1548	1.059	17	120.1548	1.059	17	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2){2|C<3>,2|N<3>,3|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,3|C<3>}	122.2225	0.947	2	121.2046	1.425	5	120.1548	1.059	17	120.1548	1.059	17	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]O)2	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]O)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	119.0150	0.000	1	119.0150	0.000	1	120.1548	1.059	17	120.1548	1.059	17	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2){1|Ir<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	119.2680	0.000	1	119.3700	0.070	4	120.1548	1.059	17	120.1548	1.059	17	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2){1|Ir<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	119.7300	0.000	1	119.3700	0.070	4	120.1548	1.059	17	120.1548	1.059	17	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2){1|Ir<7>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	119.2410	0.191	2	119.3700	0.070	4	120.1548	1.059	17	120.1548	1.059	17	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Pd)(C[5]C[5]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	120.0630	0.000	1	120.0630	0.000	1	120.1548	1.059	17	120.1548	1.059	17	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:3:4:	3:3:4:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-3:C[5]-4:	C[6a]-3:C[6a]-3:S-4:	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5])(C[5]C[5]HH)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(SC[6a]OO)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(N[5]C[5]2){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5])(C[5]C[5]HH){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(SC[6a]OO){1|C<4>,3|C<3>}	123.8060	0.000	1	123.8060	0.000	1	123.8060	0.000	1	123.8060	0.000	1	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:4:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]HH)(C[5]C[5,6a]N)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|N<2>,3|C<3>,4|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]HH)(C[5]C[5,6a]N){1|H<1>,4|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	124.3080	0.000	1	124.3080	0.000	1	122.7633	0.450	10	122.7633	0.450	10	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:4:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O){1|H<1>,4|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	122.1860	0.000	1	122.5037	0.070	4	122.7633	0.450	10	122.7633	0.450	10	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:4:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>}	122.6097	0.193	3	122.5037	0.070	4	122.7633	0.450	10	122.7633	0.450	10	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:4:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(C[5]C[5]O)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	121.9070	0.000	1	121.9070	0.000	1	122.7633	0.450	10	122.7633	0.450	10	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:4:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(C[5]C[5]O)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|O<1>,3|C<3>,4|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	122.3850	0.000	1	122.3850	0.000	1	122.7633	0.450	10	122.7633	0.450	10	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:4:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(C[5]C[5]S)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|S<1>,2|C<4>,4|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(C[5]C[5]S){2|C<3>,5|H<1>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	123.3020	0.000	1	123.3020	0.000	1	122.7633	0.450	10	122.7633	0.450	10	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:4:3:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(C[5]N[5]O)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	122.8580	0.000	2	122.8580	0.000	2	122.7633	0.450	10	122.7633	0.450	10	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:4:4:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N[5])(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(N[5]C[5]2){2|C<3>,3|C<4>,4|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)2{2|C<3>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N[5])(H){1|H<1>,2|C<4>,3|C<3>}	123.3770	0.000	1	123.3770	0.000	1	123.3770	0.000	1	121.2802	1.877	5	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:4:4:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)2	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){2|C<3>,2|C<4>,5|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)2{2|C<3>,5|H<1>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	121.3410	0.000	1	121.3410	0.000	1	120.7560	0.671	4	121.2802	1.877	5	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:4:4:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)2	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|N<2>,1|N<3>,3|C<4>,4|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)2{2|C<3>,5|H<1>}	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]C)(H){1|C<3>,2|C<4>}	119.8390	0.000	1	119.8390	0.000	1	120.7560	0.671	4	121.2802	1.877	5	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:4:4:	3:3:1:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)2	C[6a](C[6a]N[6a]N[5])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[5]C[5]2){1|N<2>,2|C<4>,2|N<3>,4|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)2{2|C<3>,5|H<1>}	C[6a](C[6a]N[6a]N[5])2(H){1|C<3>,4|C<4>}	120.9220	0.880	2	120.9220	0.774	2	120.7560	0.671	4	121.2802	1.877	5	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:4:4:	3:3:2:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a,6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N[5])(CN)	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)2{1|C<2>,2|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N[5])(CN){2|C<4>,3|C<3>}	124.6552	0.445	4	124.6552	0.198	4	124.6552	0.198	4	124.2867	0.702	7	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:4:4:	3:3:2:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)2	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)2{1|C<2>,2|C<3>,4|H<1>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]2)(CN){1|H<1>,2|C<4>,3|C<3>}	123.7953	1.084	3	123.7953	1.174	3	123.7953	1.174	3	124.2867	0.702	7	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	3:4:4:	3:3:3:	C[6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(C[5]C[5]HH)	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]Cl)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(N[5]C[5]2){1|Cl<1>,1|N<2>,2|C<3>,3|C<4>,4|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(C[5]C[5]HH){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]Cl)(N[5a]C[5a]2){1|H<1>,3|C<3>,3|C<4>}	125.3740	0.000	1	125.3740	0.000	1	125.3740	0.000	1	125.3740	0.000	1	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:2:3:	4:3:3:	3:3:1:	N[5]-3:N[6a]-2:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[6a]C[6a]N[6a])(C[5]C[5,6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[5])(H)	C[6a](N[5]C[5,6]C[5])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[6a]C[6a]N[6a])(C[5]C[5,6a]O){1|H<1>,8|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[5])(H){1|C<4>,3|C<3>}	122.1097	0.585	4	122.1097	0.342	4	122.1097	0.342	4	122.1097	0.342	4	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:2:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]N[6a])(N[5]C[5])	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]N[6a])(N[5]C[5]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	120.0320	0.000	1	120.0320	0.000	1	120.0320	0.000	1	120.3696	0.448	5	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:2:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(N[5]N[5]){1|Co<6>,1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	120.6520	0.000	1	120.4540	0.549	4	120.4540	0.549	4	120.3696	0.448	5	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:2:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(N[5]N[5]){1|Cu<4>,1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	120.8055	0.742	2	120.4540	0.549	4	120.4540	0.549	4	120.3696	0.448	5	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:2:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(N[5]N[5]){1|Pt<4>,1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	119.5530	0.000	1	120.4540	0.549	4	120.4540	0.549	4	120.3696	0.448	5	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:2:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]C)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]C){1|Ru<9>,2|H<1>,4|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	120.0150	0.000	1	120.0150	0.000	1	120.3427	0.379	7	121.2343	2.243	15	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:2:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	119.8537	0.116	3	120.3973	0.430	6	120.3427	0.379	7	121.2343	2.243	15	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:2:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,2|N<3>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	120.9410	0.419	3	120.3973	0.430	6	120.3427	0.379	7	121.2343	2.243	15	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:2:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:N[6a]-2:	C[5,6a]-3:P[5,5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]P[5,5])(C[6a]C[6a]H)(N[6a]C[6a])	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5])(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]P[5,5])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,2|N<3>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5])(C[6a]C[6a]N[6a]){2|H<1>,7|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,2|C<3>}	119.6570	0.000	1	119.6570	0.000	1	119.6570	0.000	1	121.2343	2.243	15	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:2:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[5](C[6a]C[6a]N[6a])(N[5]C[5]Cu)(C[5]C[5]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cu<6>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]N[6a])(N[5]C[5]Cu)(C[5]C[5]H){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	120.8400	0.000	1	120.8400	0.000	1	122.3513	2.057	7	121.2343	2.243	15	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:2:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[5](C[6a]C[6a]N[6a])(N[5]C[5]Mn)(C[5]C[5]C)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Mn<6>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(N[5]C[5]Mn)(C[5]C[5]C){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	122.6032	1.391	6	122.6032	1.935	6	122.3513	2.057	7	121.2343	2.243	15	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:2:	3:3:4:	3:3:1:	N[5]-3:C[6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]CH)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]CH){1|C<2>,3|H<1>,4|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	122.7195	0.025	2	122.7195	0.001	2	122.7195	0.001	2	122.7195	0.001	2	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:2:	3:3:4:	3:3:3:	N[5]-3:C[6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(N[6a]C[6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]HH)	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]O)(CHO)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]HH){3|H<1>,5|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]O)(CHO){1|C<4>,2|C<3>}	121.9500	0.414	2	121.9500	0.172	2	121.9500	0.172	2	121.9500	0.172	2	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:C[6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(N[6a]C[6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]HH)	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]Cl)(CCHH)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]HH){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]Cl)(CCHH){1|C<4>,2|C<3>}	123.3810	0.000	1	123.3810	0.000	1	123.1220	0.134	2	123.1220	0.134	2	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:2:	3:3:4:	3:3:4:	N[5]-3:C[6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(N[6a]C[6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]HH)	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]N)(CCHH)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]HH){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]N)(CCHH){1|C<4>,2|C<3>}	122.8630	0.000	1	122.8630	0.000	1	123.1220	0.134	2	123.1220	0.134	2	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:2:	3:4:2:	3:3:1:	C[6a]-3:N[5]-3:N[6a]-2:	C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(N[6a]C[6a])	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5])	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]){1|Br<1>,1|Cl<1>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	124.7390	0.000	1	124.7390	0.000	1	124.7390	0.000	1	124.7390	0.000	1	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:2:	3:4:3:	3:3:1:	N[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[5]-4:B[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]B[5]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(B[5]N[5]Si)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Si<4>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(B[5]N[5]Si){2|H<1>,6|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>}	121.3420	0.000	1	121.3420	0.000	1	121.3420	0.000	1	121.3420	0.000	1	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:2:	3:4:4:	3:3:1:	N[5]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[5]-4:S[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6]HO)(S[5]C[5,6]OO)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6]HO)(S[5]C[5,6]OO){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	121.4820	0.000	1	121.4820	0.000	1	121.4820	0.000	1	121.4820	0.000	1	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:2:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:N[6a]-2:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[6a]C[6a]N[6a])(C[5]C[5,6a]O)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[6a]C[6a]N[6a])(C[5]C[5,6a]O){1|H<1>,8|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	121.7470	0.000	1	121.7470	0.000	1	121.7470	0.000	1	121.7470	0.000	1	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	2:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	Se[5]-2:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]Se[5]N[5])(C[6a]C[6a]H)2	N[5](Se[5]C[5,6a])(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]Se[5]N[5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	N[5](Se[5]C[5,6a])(C[6a]C[6a]2)(N[5]C[5,6a]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|N<2>,2|H<1>}	119.3914	1.244	8	119.3914	1.548	8	119.3914	1.548	8	119.3914	1.548	8	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]N[5]2)	N[5](C[6a]C[6a]2)(N[5]C[5,5])2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]N[5]2){1|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(N[5]C[5,5])2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	118.9237	0.215	4	118.9985	0.100	6	118.9985	0.100	6	119.5611	0.772	14	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]N[5]2)	N[5](C[6a]C[6a]2)(N[5]C[5,5])2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]N[5]2){1|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(N[5]C[5,5])2{1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	119.1480	0.544	2	118.9985	0.100	6	118.9985	0.100	6	119.5611	0.772	14	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:N[5]-2:S[5]-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[5]N[5]S[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(N[5]C[5,6])(S[5]C[5,6])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[5]N[5]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(N[5]C[5,6])(S[5]C[5,6]){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	121.4020	0.000	1	121.4020	0.000	1	121.4020	0.000	1	119.5611	0.772	14	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:N[5]-2:S[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(N[5]N[5]S[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(N[5]C[5,6])(S[5]C[5,6])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(N[5]N[5]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(N[5]C[5,6])(S[5]C[5,6]){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>,1|S<2>}	120.4110	0.000	1	120.4110	0.000	1	120.4110	0.000	1	119.5611	0.772	14	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5])(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5])(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|N<2>,2|H<1>}	119.4243	0.945	4	119.4243	0.893	4	119.4243	0.893	4	119.5611	0.772	14	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-2:S[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]N[5]S[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]N[5]S[5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	120.1775	0.098	2	120.1775	0.010	2	120.1775	0.010	2	119.5611	0.772	14	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:2:2:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:P[5]-2:P[5]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(N[5]P[5]2)	N[5](C[6a]C[6a]2)(P[5]C[5])(P[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)2(N[5]P[5]2){1|N<3>,2|H<1>,6|C<3>}	N[5](C[6a]C[6a]2)(P[5]C[5])(P[5]N[5]){1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,2|P<2>,4|C<3>}	119.3555	0.332	2	119.3555	0.110	2	119.3555	0.110	2	119.3555	0.110	2	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:2:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5])(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5])(N[5]N[5]){1|Br<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	118.0655	0.118	2	118.1962	0.239	4	118.3753	0.291	6	118.3753	0.291	6	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:2:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5])(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5])(N[5]N[5]){3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	118.3270	0.796	2	118.1962	0.239	4	118.3753	0.291	6	118.3753	0.291	6	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:2:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]N[5])(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5])(N[5]C[5]){3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<2>,1|C<3>,1|N<2>,2|C<4>}	118.7335	0.596	2	118.7335	0.355	2	118.3753	0.291	6	118.3753	0.291	6	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:2:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:Se[5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]Br)(C[6a]C[6a]H)	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Br)	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2){1|Br<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Br){1|Se<2>,2|C<3>,2|H<1>}	120.6810	0.000	1	120.6810	0.000	1	120.6810	0.000	1	120.3559	2.491	19	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:2:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:Se[5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]Br)(C[6a]C[6a]H)	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2){1|Br<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|Se<2>,1|H<1>,2|C<3>}	120.0670	0.000	1	120.0670	0.000	1	120.3379	2.631	18	120.3559	2.491	19	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:2:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:Se[5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<4>,1|H<1>,2|C<3>}	118.8320	0.000	1	118.8320	0.000	1	120.3379	2.631	18	120.3559	2.491	19	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:2:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:Se[5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|Se<2>,2|C<3>,2|H<1>}	118.6540	0.000	1	118.6540	0.000	1	120.3379	2.631	18	120.3559	2.491	19	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:2:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:Se[5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,2|C<3>,2|H<1>}	122.3910	0.000	1	120.2164	2.215	13	120.3379	2.631	18	120.3559	2.491	19	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:2:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:Se[5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|H<1>,1|N<3>,2|C<3>}	119.1850	0.161	2	120.2164	2.215	13	120.3379	2.631	18	120.3559	2.491	19	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:2:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:Se[5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<4>,1|H<1>,2|C<3>}	120.1130	0.359	2	120.2164	2.215	13	120.3379	2.631	18	120.3559	2.491	19	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:2:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:Se[5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|H<1>,1|O<2>,2|C<3>}	119.7485	0.424	4	120.2164	2.215	13	120.3379	2.631	18	120.3559	2.491	19	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:2:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:Se[5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,2|C<3>,2|H<1>}	120.7080	2.392	4	120.2164	2.215	13	120.3379	2.631	18	120.3559	2.491	19	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:2:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:Se[5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H)	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H){1|Se<2>,1|H<1>,1|N<3>,2|C<3>}	122.8580	0.274	2	122.8580	0.075	2	120.3379	2.631	18	120.3559	2.491	19	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:2:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:Se[5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|Se<2>,2|C<3>,2|H<1>}	119.3570	0.000	1	119.3570	0.000	1	118.4140	0.498	5	118.4140	0.498	5	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:2:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:Se[5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]C)2	N[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]C)2{3|C<3>,3|H<1>}	N[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Se<2>,1|C<4>,1|H<1>,2|C<3>}	118.1782	0.541	4	118.1782	0.293	4	118.4140	0.498	5	118.4140	0.498	5	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]N[5])(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[5,6a]C[6a])(C[5]C[5,6]H)(N[5]N[5,6])	C[6a](C[6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[5](C[6a]C[5,6a]C[6a])(C[5]C[5,6]H)(N[5]N[5,6]){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,2|N<2>}	119.2655	1.213	2	119.2655	1.471	2	119.2655	1.471	2	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a,6a]N[5])(C[6a]N[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5]C[5]N[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]H)(N[5]N[5]){1|Ir<8>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]N[6a]H)(H){1|N<2>,3|C<3>}	117.6140	0.000	1	117.6140	0.000	1	117.6140	0.000	1	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<2>,1|H<1>,2|C<3>}	119.1543	0.440	4	119.1543	0.193	4	119.1543	0.193	4	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)2(N[5]C[5]N[5])	N[5](C[5]N[5,6]C)(C[6a]C[6a]2)(N[5]C[5,6])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)2(N[5]C[5]N[5]){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]N[5,6]C)(C[6a]C[6a]2)(N[5]C[5,6]){2|Br<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Br){2|Br<1>,1|N<2>,2|C<3>}	121.5620	1.040	4	121.5620	1.081	4	121.5620	1.081	4	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]N[5]2)	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]N[5]2){1|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]){1|Ir<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	119.2770	0.659	2	119.1585	1.343	10	120.1034	2.401	16	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]N[5]2)	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]N[5]2){1|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]){1|Mo<9>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	118.5510	0.564	2	119.1585	1.343	10	120.1034	2.401	16	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]N[5]2)	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]N[5]2){1|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]){1|Pd<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	118.9783	1.646	4	119.1585	1.343	10	120.1034	2.401	16	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]N[5]2)	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	120.0080	0.935	2	119.1585	1.343	10	120.1034	2.401	16	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(N[5]N[5]2)	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(N[5]N[5]2){2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(N[5]C[5]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|C<3>,1|F<1>,1|N<2>,1|N<3>}	121.6782	0.149	6	121.6782	0.022	6	120.1034	2.401	16	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]N[5]2)	N[5](N[5]C[5,6a]O)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]N[5]2){1|O<1>,2|H<1>,3|C<3>}	N[5](N[5]C[5,6a]O)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	117.5900	0.000	1	117.5900	0.000	1	117.9018	1.615	118	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2)	N[5](N[5]C[5,6a]Al)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2){1|Al<4>,2|C<4>,3|C<3>}	N[5](N[5]C[5,6a]Al)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	116.4910	0.000	1	116.6240	0.135	14	117.9018	1.615	118	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2)	N[5](N[5]C[5,6a]Al)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2){1|Al<5>,2|C<4>,3|C<3>}	N[5](N[5]C[5,6a]Al)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	116.6342	0.380	13	116.6240	0.135	14	117.9018	1.615	118	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2)	N[5](N[5]C[5,6a]Co)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2){1|Co<6>,1|C<4>,4|C<3>}	N[5](N[5]C[5,6a]Co)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,1|O<3>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<3>}	117.1430	0.641	6	117.1430	0.410	6	117.9018	1.615	118	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2)	N[5](N[5]C[5,6a]Ni)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2){1|Ni<6>,1|C<4>,4|C<3>}	N[5](N[5]C[5,6a]Ni)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,1|O<3>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<3>}	115.9760	0.020	2	116.7994	0.956	9	117.9018	1.615	118	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2)	N[5](N[5]C[5,6a]Ni)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2){1|Ni<6>,2|C<4>,3|C<3>}	N[5](N[5]C[5,6a]Ni)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,1|O<3>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<3>}	117.0347	0.992	7	116.7994	0.956	9	117.9018	1.615	118	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2)	N[5](N[5]C[5,6a]O)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2){1|O<1>,2|C<4>,3|C<3>}	N[5](N[5]C[5,6a]O)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	115.4480	0.000	1	115.4480	0.000	1	117.9018	1.615	118	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2)	N[5](N[5]C[5,6a]Pd)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2){1|Pd<4>,1|C<4>,1|H<1>,3|C<3>}	N[5](N[5]C[5,6a]Pd)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	117.4090	0.000	1	117.4090	0.000	1	117.9018	1.615	118	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2)	N[5](N[5]C[5,6a]Re)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2){1|Re<6>,1|C<4>,1|H<1>,3|C<3>}	N[5](N[5]C[5,6a]Re)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	118.0347	0.702	3	118.0347	0.493	3	117.9018	1.615	118	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2)	N[5](N[5]C[5,6a]Zn)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2){1|Zn<6>,2|C<4>,3|C<3>}	N[5](N[5]C[5,6a]Zn)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,1|O<3>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<3>}	118.0760	0.730	2	118.0760	0.533	2	117.9018	1.615	118	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]N[5]2)	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]F)(H)	C[6a](C[6a]C[6a]H)2(N[5]N[5]2){1|F<1>,1|H<1>,1|N<2>,3|C<3>}	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]){1|S<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]F)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	119.7310	0.000	1	119.7310	0.000	1	117.9018	1.615	118	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]N[5]2)	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]N[5]2){1|F<1>,1|H<1>,1|N<2>,3|C<3>}	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]){1|S<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	117.3750	0.000	1	118.3149	1.459	80	117.9018	1.615	118	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]N[5]2)	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]N[5]2){1|N<2>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	118.5158	1.580	15	118.3149	1.459	80	117.9018	1.615	118	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]N[5]2)	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]N[5]2){1|N<2>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	118.5095	0.792	8	118.3149	1.459	80	117.9018	1.615	118	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]N[5]2)	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]N[5]2){1|N<2>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	118.2500	1.159	56	118.3149	1.459	80	117.9018	1.615	118	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]N[5])(H)	C[6a](C[6a]C[5a,6a]H)(N[5]C[5]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Re<6>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]N[5])(H){1|H<1>,2|N<2>,3|C<3>}	119.2410	0.000	1	119.2410	0.000	1	119.2410	0.000	1	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl){1|N<2>,2|C<3>,2|H<1>}	121.0145	0.477	2	121.0145	0.228	2	121.0145	0.228	2	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N[5])(H)	C[6a](C[6a]C[5a,6a]H)(N[5]C[5]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Re<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N[5])(H){1|H<1>,2|C<3>,2|N<2>}	118.1330	0.000	1	118.1330	0.000	1	122.6873	2.862	29	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	119.3950	0.823	2	119.3950	0.677	2	122.6873	2.862	29	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ir)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(C[5]C[5]Ir)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Ir)(N[5]C[5]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Ir)(N[5]N[5]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Ir<8>,1|H<1>,1|N<2>,2|C<3>}	122.7705	0.145	2	122.7705	0.021	2	122.6873	2.862	29	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ir)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Ir)(N[5]C[5]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(N[5]C[5]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Ir<8>,1|H<1>,1|N<2>,2|C<3>}	123.4740	0.752	2	123.4740	0.566	2	122.6873	2.862	29	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Pd)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Pd)(N[5]C[5]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|N<2>,2|C<3>}	123.3338	1.214	5	123.3886	1.040	7	122.6873	2.862	29	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Pd)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Pd)(N[5]C[5]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|N<2>,2|C<3>}	123.1420	0.000	1	123.3886	1.040	7	122.6873	2.862	29	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Pd)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Pd)(N[5]C[5]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|N<2>,3|C<3>}	123.9090	0.000	1	123.3886	1.040	7	122.6873	2.862	29	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Re)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(C[5]N[5]Re)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Re)(N[5]C[5]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Re)(N[5]C[5]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Re<5>,1|H<1>,1|N<2>,2|C<3>}	121.2040	0.000	2	121.2040	0.000	2	122.6873	2.862	29	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Rh)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Rh)(N[5]C[5]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Rh<8>,1|H<1>,1|N<2>,2|C<3>}	122.8760	0.000	1	122.6226	0.107	5	122.6873	2.862	29	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Rh)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Rh)(N[5]C[5]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Rh<6>,1|H<1>,1|N<2>,2|C<3>}	122.2885	0.194	2	122.6226	0.107	5	122.6873	2.862	29	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Rh)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Rh)(N[5]C[5]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Rh<8>,1|H<1>,1|N<2>,2|C<3>}	122.8300	0.122	2	122.6226	0.107	5	122.6873	2.862	29	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ru)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(C[5]C[5]Ru)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Ru)(N[5]C[5]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Ru)(N[5]N[5]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Ru<6>,1|H<1>,1|N<2>,2|C<3>}	122.0490	0.000	1	122.4360	0.118	3	122.6873	2.862	29	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ru)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(C[5]C[5]Ru)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Ru)(N[5]C[5]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Ru)(N[5]N[5]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Ru<9>,1|H<1>,1|N<2>,2|C<3>}	122.6295	0.104	2	122.4360	0.118	3	122.6873	2.862	29	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ru)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Ru)(N[5]C[5]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]C[5]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Ru<5>,1|H<1>,1|N<2>,2|C<3>}	124.5360	0.000	1	124.3944	1.415	5	122.6873	2.862	29	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ru)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Ru)(N[5]C[5]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]C[5]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Ru<6>,1|H<1>,1|N<2>,2|C<3>}	123.0510	0.000	1	124.3944	1.415	5	122.6873	2.862	29	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ru)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Ru)(N[5]C[5]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]C[5]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Ru<9>,1|H<1>,1|N<2>,2|C<3>}	123.3940	0.000	1	124.3944	1.415	5	122.6873	2.862	29	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ru)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Ru)(N[5]C[5]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]C[5]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Ru<5>,1|H<1>,1|N<2>,2|C<3>}	125.0430	0.000	1	124.3944	1.415	5	122.6873	2.862	29	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ru)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Ru)(N[5]C[5]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]C[5]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Ru<6>,1|H<1>,1|N<2>,2|C<3>}	125.9480	0.000	1	124.3944	1.415	5	122.6873	2.862	29	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	B[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]B[5]N[5])(C[6a]C[6a]H)2	N[5](B[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]B[5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	N[5](B[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|N<2>,2|H<1>}	120.5899	0.887	8	120.5899	0.787	8	120.5899	0.787	8	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[6a]-3:P[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]P[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(P[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]P[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(P[5]N[5]){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<2>,2|C<3>}	117.8541	0.979	10	117.8541	0.959	10	117.8541	0.959	10	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[6a]-3:S[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]S[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(S[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]S[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(S[5]N[5]){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	118.7420	0.549	4	118.7420	0.301	4	118.7420	0.301	4	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[6a]-3:S[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5a]S[5])(C[6a]C[6a]H)2	N[5](C[5,5a]N[5,5a]N[5a])(C[6a]C[6a]2)(S[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5a]S[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,5a]N[5,5a]N[5a])(C[6a]C[6a]2)(S[5]C[5]){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	120.3285	0.920	2	120.3285	0.846	2	120.3285	0.846	2	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2	N[5](C[5,6]N[5,6]B[6])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6]N[5,6]B[6])(C[6a]C[6a]2)(N[5]C[5]){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.1700	0.886	4	119.1700	0.785	4	119.3296	0.355	10	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2	N[5](C[5,6]N[5,6]N[6])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6]N[5,6]N[6])(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	119.4360	0.367	6	119.4360	0.135	6	119.3296	0.355	10	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]P[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]2)(P[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]P[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]2)(P[5]N[5]){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|P<2>,2|C<3>}	119.5877	0.797	4	119.5877	0.636	4	119.5877	0.636	4	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]F)2	N[5](C[5]N[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]F)(F)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]F)2{1|H<1>,1|N<3>,2|C<3>,2|F<1>}	N[5](C[5]N[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5]){2|C<3>,2|C<4>,2|F<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]F)(F){1|N<2>,2|C<3>,2|F<1>}	120.4521	0.578	12	120.4521	0.335	12	120.4884	0.306	14	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]F)2	N[5](C[5]N[5,5]Se)(C[6a]C[6a]2)(N[5]C[5,5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]F)(F)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]F)2{1|Se<1>,1|N<3>,2|C<3>,2|F<1>}	N[5](C[5]N[5,5]Se)(C[6a]C[6a]2)(N[5]C[5,5]){2|C<3>,2|C<4>,2|F<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]F)(F){1|N<2>,2|C<3>,2|F<1>}	120.7060	0.440	2	120.7060	0.193	2	120.4884	0.306	14	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[5]N[5,6]H)(C[6a]C[6a]2)(N[5]C[5,6])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]N[5,6]H)(C[6a]C[6a]2)(N[5]C[5,6]){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	117.3790	0.000	1	117.3790	0.000	1	119.5831	1.039	219	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[3,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[3,5]O)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	120.0015	0.827	2	119.6828	1.402	10	119.5831	1.039	219	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[3,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[3,5]O)(C[6a]C[6a]2)(N[5]C[5]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.5258	1.357	6	119.6828	1.402	10	119.5831	1.039	219	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[3,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[3,5]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.8350	1.527	2	119.6828	1.402	10	119.5831	1.039	219	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.6580	0.369	2	119.8845	0.616	87	119.5831	1.039	219	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.8680	0.181	2	119.8845	0.616	87	119.5831	1.039	219	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.6910	0.440	2	119.8845	0.616	87	119.5831	1.039	219	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	120.1365	0.011	2	119.8845	0.616	87	119.5831	1.039	219	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	120.1040	0.665	6	119.8845	0.616	87	119.5831	1.039	219	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.9251	0.531	8	119.8845	0.616	87	119.5831	1.039	219	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.8093	0.644	10	119.8845	0.616	87	119.5831	1.039	219	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.8970	0.888	24	119.8845	0.616	87	119.5831	1.039	219	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	119.3305	1.337	2	119.8845	0.616	87	119.5831	1.039	219	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.8398	0.871	24	119.8845	0.616	87	119.5831	1.039	219	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	120.1568	1.184	5	119.8845	0.616	87	119.5831	1.039	219	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5,6])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5,6]){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	120.0015	1.568	2	120.0015	2.458	2	119.5831	1.039	219	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.5975	0.705	10	119.8014	0.887	54	119.5831	1.039	219	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	120.1280	0.199	2	119.8014	0.887	54	119.5831	1.039	219	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.8959	1.051	28	119.8014	0.887	54	119.5831	1.039	219	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	120.0235	0.241	2	119.8014	0.887	54	119.5831	1.039	219	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	119.3683	1.234	4	119.8014	0.887	54	119.5831	1.039	219	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.8517	1.190	4	119.8014	0.887	54	119.5831	1.039	219	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.7583	0.827	4	119.8014	0.887	54	119.5831	1.039	219	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5]C[6])(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	N[5](C[5]C[5]C[6])(C[6a]C[6a]2)(N[5]O[5]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	118.3477	0.320	6	118.3477	0.102	6	119.5831	1.039	219	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5]){1|Cu<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.7952	2.022	4	119.0994	1.875	18	119.5831	1.039	219	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5]){1|Cu<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.2848	1.012	4	119.0994	1.875	18	119.5831	1.039	219	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5]){1|Ir<6>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	119.6215	0.112	2	119.0994	1.875	18	119.5831	1.039	219	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5]){1|Ir<6>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.0562	1.436	6	119.0994	1.875	18	119.5831	1.039	219	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	118.9450	2.257	2	119.0994	1.875	18	119.5831	1.039	219	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|B<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	118.8485	0.018	2	118.8382	0.371	17	119.5831	1.039	219	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Cu<2>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	118.6939	0.618	7	118.8382	0.371	17	119.5831	1.039	219	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Mn<6>,1|B<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	119.1010	0.561	6	118.8382	0.371	17	119.5831	1.039	219	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	118.5450	1.158	2	118.8382	0.371	17	119.5831	1.039	219	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]){1|Mo<6>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.0160	0.052	2	119.0160	0.003	2	119.5831	1.039	219	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]N[5,5]C)(C[6a]C[6a]2)(N[5]C[5,5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]N[5,5]C)(C[6a]C[6a]2)(N[5]C[5,5]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	118.7833	0.579	6	118.7833	0.336	6	119.5831	1.039	219	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]N[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]N[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	119.4620	0.342	2	119.1672	0.207	4	119.5831	1.039	219	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]N[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]N[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	118.8725	0.395	2	119.1672	0.207	4	119.5831	1.039	219	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]N[5,5]Se)(C[6a]C[6a]2)(N[5]C[5,5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Se<1>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]N[5,5]Se)(C[6a]C[6a]2)(N[5]C[5,5]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.5130	2.554	2	119.5130	6.523	2	119.5831	1.039	219	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]N[5,6]H)(C[6a]C[6a]2)(N[5]C[5,6])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]N[5,6]H)(C[6a]C[6a]2)(N[5]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.3095	0.342	2	119.3095	0.117	2	119.5831	1.039	219	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]N[5,6]N)(C[6a]C[6a]2)(N[5]C[5,6])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]N[5,6]N)(C[6a]C[6a]2)(N[5]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.9590	1.967	4	119.9590	3.871	4	119.5831	1.039	219	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]N[5,6a]Rh)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Rh<6>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]N[5,6a]Rh)(C[6a]C[6a]2)(N[5]C[5,6a]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.0598	1.517	4	119.0598	2.302	4	119.5831	1.039	219	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:S[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]S[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]S[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]N[5]){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	118.0228	0.686	4	118.0228	0.470	4	118.0228	0.470	4	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]F)(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|S<1>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5]){1|F<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F){1|N<2>,2|C<3>,2|H<1>}	119.0990	0.000	1	119.0990	0.000	1	120.8538	1.110	5	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]F)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]F)(F)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]F)2{1|O<1>,2|F<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>,2|F<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]F)(F){1|N<2>,2|C<3>,2|F<1>}	121.2925	0.444	4	121.2925	0.197	4	120.8538	1.110	5	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Ru<6>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	117.6590	0.000	1	117.6590	0.000	1	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	117.1370	0.000	1	117.1370	0.000	1	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]F)(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|S<1>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5]){1|F<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	121.1630	0.000	1	121.1630	0.000	1	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|N<3>}	119.4310	0.164	2	119.4310	0.027	2	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|N<2>,1|N<3>,2|C<3>}	119.3065	1.402	4	119.3065	1.966	4	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[6a]C[6a]2)(C[5]C[5]B)(N[5]O[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]B)(N[5]O[5]){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	119.7970	0.259	2	119.7970	0.067	2	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	117.0710	0.000	1	117.0710	0.000	1	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[6a]C[6a]2)(C[5]C[5]Mo)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mo<5>,1|N<3>,2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]Mo)(N[5]N[5]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	118.1040	0.000	1	118.1040	0.000	1	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[6a]C[6a]2)(C[5]C[5]Ni)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ni<4>,1|N<3>,2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]Ni)(N[5]N[5]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	120.6970	0.000	1	120.6970	0.000	1	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[6a]C[6a]2)(C[5]C[5]Ni)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ni<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Ni)(N[5]N[5]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	119.7563	0.368	3	119.8822	0.207	5	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[6a]C[6a]2)(C[5]C[5]Ni)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ni<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Ni)(N[5]N[5]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	120.0710	0.662	2	119.8822	0.207	5	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[6a]C[6a]2)(C[5]C[5]S)(N[5]O[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]S)(N[5]O[5]){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	119.0240	0.553	2	119.0240	0.306	2	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Mo<6>,1|H<1>,1|P<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|P<3>,2|C<3>}	118.5890	0.000	1	118.5890	0.000	1	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]S)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]S){1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Cu<4>,1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	118.6260	0.000	1	118.6260	0.000	1	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]B)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]B)(N[5]N[5]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.0070	1.226	2	119.0070	1.503	2	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	118.7505	0.087	2	118.8758	0.305	6	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]){1|Ir<8>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	118.9385	0.700	4	118.8758	0.305	6	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N[5])(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Pd<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N[5])(H){1|N<2>,2|H<1>,4|C<3>}	118.3540	0.000	1	118.3540	0.000	1	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Pt<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|H<1>}	119.0495	0.965	2	119.0495	0.932	2	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.0925	0.483	2	119.1982	0.619	73	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	118.8845	1.056	2	119.1982	0.619	73	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	119.6815	0.629	2	119.1982	0.619	73	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	119.1423	0.579	4	119.1982	0.619	73	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Co<5>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.0475	0.577	6	119.1982	0.619	73	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Cu<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.4285	0.562	2	119.1982	0.619	73	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Cu<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	119.0957	0.662	4	119.1982	0.619	73	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Cu<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.4555	0.108	2	119.1982	0.619	73	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Fe<6>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	119.5035	0.354	2	119.1982	0.619	73	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Ir<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	118.7025	0.052	2	119.1982	0.619	73	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Ir<8>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.0340	0.573	2	119.1982	0.619	73	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Mn<6>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	119.3152	0.253	4	119.1982	0.619	73	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Mo<6>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	118.9788	1.384	6	119.1982	0.619	73	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.3247	1.260	4	119.1982	0.619	73	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Pd<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	119.3815	0.689	2	119.1982	0.619	73	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Pd<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.1668	0.645	4	119.1982	0.619	73	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Pt<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.0907	1.376	6	119.1982	0.619	73	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Re<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	119.2330	0.735	2	119.1982	0.619	73	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Rh<8>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.0785	0.279	2	119.1982	0.619	73	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Zn<5>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.3600	1.242	4	119.1982	0.619	73	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Zn<6>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.4232	0.156	4	119.1982	0.619	73	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	119.5420	0.976	2	119.1982	0.619	73	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	118.8480	1.605	2	119.1982	0.619	73	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Pd<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.7210	0.000	1	119.1982	0.619	73	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]Ir)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ir<8>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Ir)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	118.8833	0.987	4	118.8833	0.975	4	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]Mn)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Mn<5>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Mn)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	119.1450	0.061	2	119.1450	0.004	2	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]Ni)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ni<7>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Ni)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.0530	0.580	2	119.1097	0.192	4	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]Ni)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ni<7>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Ni)(N[5]N[5]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.1665	0.476	2	119.1097	0.192	4	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|H<1>}	120.2020	0.000	1	120.2020	0.000	1	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	120.2153	1.720	3	120.2153	2.959	3	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	120.3050	0.000	1	120.0324	0.801	277	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	119.6335	1.365	2	120.0324	0.801	277	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<2>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.8310	0.851	2	120.0324	0.801	277	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,1|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.5165	1.433	2	120.0324	0.801	277	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.7343	0.596	8	120.0324	0.801	277	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.8960	0.651	4	120.0324	0.801	277	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	120.1525	1.125	2	120.0324	0.801	277	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	120.0985	0.497	2	120.0324	0.801	277	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.8499	0.989	8	120.0324	0.801	277	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	119.4627	0.811	3	120.0324	0.801	277	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.8388	0.665	6	120.0324	0.801	277	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.6795	0.538	2	120.0324	0.801	277	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	120.1089	0.695	16	120.0324	0.801	277	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.8596	0.713	16	120.0324	0.801	277	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	120.3760	0.757	2	120.0324	0.801	277	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.7790	1.067	14	120.0324	0.801	277	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	120.1580	1.327	2	120.0324	0.801	277	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	119.8060	0.755	2	120.0324	0.801	277	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.9520	0.952	2	120.0324	0.801	277	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	120.0747	1.717	3	120.0324	0.801	277	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.8475	0.228	2	120.0324	0.801	277	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	121.1270	0.000	1	120.0324	0.801	277	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	119.8180	0.865	2	120.0324	0.801	277	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.9880	0.694	2	120.0324	0.801	277	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	120.0555	0.466	2	120.0324	0.801	277	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	120.1140	0.156	2	120.0324	0.801	277	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	120.5399	0.917	10	120.0324	0.801	277	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	119.8405	0.284	4	120.0324	0.801	277	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	120.0927	0.976	149	120.0324	0.801	277	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	120.3215	0.743	2	120.0324	0.801	277	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.9855	0.306	2	120.0324	0.801	277	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H){1|N<2>,2|C<3>,2|H<1>}	120.6235	0.093	2	120.0280	1.068	3	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H){1|N<2>,2|C<3>,2|H<1>}	118.8370	0.000	1	120.0280	1.068	3	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]P)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|P<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]P)(N[5]N[5]){1|W<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.0375	0.496	2	119.0375	0.246	2	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	119.5740	0.876	8	119.4166	1.238	18	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.6808	1.744	4	119.4166	1.238	18	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.0307	1.018	6	119.4166	1.238	18	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Rh<6>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.5405	0.793	2	119.0571	1.328	10	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Rh<6>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	118.8778	1.711	4	119.0571	1.328	10	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Rh<8>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	118.9947	0.801	4	119.0571	1.328	10	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]Ru)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ru<9>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Ru)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	119.0210	1.353	2	118.9825	1.033	4	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]Ru)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ru<9>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Ru)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	118.9440	1.123	2	118.9825	1.033	4	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]N[5]C)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]C)(N[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.1650	3.594	2	119.6658	5.384	4	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]N[5]C)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]C)(N[5]C[5]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	120.1665	1.496	2	119.6658	5.384	4	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]N[5]Cl)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cl)(N[5]N[5]){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	118.6200	0.420	2	118.6200	0.176	2	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]){1|Co<6>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	119.7125	1.124	2	119.3720	0.711	18	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]){1|Hg<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	119.6705	1.025	2	119.3720	0.711	18	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]){1|Mn<6>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	120.0425	1.071	2	119.3720	0.711	18	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.0342	0.580	6	119.3720	0.711	18	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]){1|Ni<6>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	119.7805	1.248	2	119.3720	0.711	18	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.0198	0.924	4	119.3720	0.711	18	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]){1|Ni<6>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	119.1150	0.416	2	119.1150	0.173	2	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.4180	1.772	2	119.3265	0.971	6	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.2807	0.751	4	119.3265	0.971	6	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,2|H<1>,2|N<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]N[5]){1|Pd<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	118.9273	2.093	4	118.9273	4.381	4	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	120.2985	2.061	2	119.9220	2.519	4	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]C[5]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.5455	1.655	2	119.9220	2.519	4	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pt<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(N[5]C[5]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.2275	1.893	2	119.2275	3.583	2	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]N[5]Re)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Re<5>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Re)(N[5]C[5]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	120.2320	0.345	4	120.2320	0.119	4	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Rh<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(N[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.1985	0.722	2	119.4292	0.748	19	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Rh<6>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(N[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	119.4560	0.318	3	119.4292	0.748	19	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Rh<6>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(N[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.4467	0.898	12	119.4292	0.748	19	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Rh<6>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(N[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.5145	1.935	2	119.4292	0.748	19	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ru<9>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(N[5]C[5]){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	118.9630	0.710	2	118.9630	0.504	2	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|S<1>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5]){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.3345	0.542	2	119.1578	0.923	16	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|S<2>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	118.4960	0.393	2	119.1578	0.923	16	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|S<2>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5]){1|Cr<8>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.3822	0.633	4	119.1578	0.923	16	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|S<2>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5]){1|Pt<5>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.2612	1.019	4	119.1578	0.923	16	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|S<2>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5]){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.0425	2.788	2	119.1578	0.923	16	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|S<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5]){1|Cu<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.1025	0.284	2	119.1578	0.923	16	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]N[5]Tc)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Tc<5>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Tc)(N[5]C[5]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.7195	0.849	2	119.7195	0.721	2	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]S[5]C)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]S[5]C)(N[5]C[5]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	119.5755	2.087	2	119.4275	2.740	4	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]S[5]C)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]S[5]C)(N[5]C[5]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	119.2795	1.944	2	119.4275	2.740	4	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]S[5]S)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|S<1>,1|S<2>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]S[5]S)(N[5]C[5]){1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.2400	0.649	2	119.2275	0.340	4	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]S[5]S)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|S<1>,1|S<2>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]S[5]S)(N[5]C[5]){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.2150	0.774	2	119.2275	0.340	4	119.6721	1.020	528	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:S[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]S[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(S[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]S[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(S[5]N[5]){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	119.1843	0.627	4	119.1843	0.394	4	119.1843	0.394	4	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]N[5]P[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(P[5]N[5]Br)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]N[5]P[5])(C[6a]C[6a]H)2{1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(P[5]N[5]Br)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|P<3>,2|H<1>}	120.0370	1.013	4	120.0370	1.026	4	120.0370	1.026	4	119.5352	1.842	993	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2)	N[5](N[5]C[5,6a]Al)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OAl)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2){1|Al<4>,2|C<4>,3|C<3>}	N[5](N[5]C[5,6a]Al)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OAl){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	120.4520	0.000	1	120.4897	0.099	15	120.6697	0.260	20	119.5089	2.371	35	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2)	N[5](N[5]C[5,6a]Al)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OAl)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2){1|Al<5>,2|C<4>,3|C<3>}	N[5](N[5]C[5,6a]Al)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OAl){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	120.4924	0.327	14	120.4897	0.099	15	120.6697	0.260	20	119.5089	2.371	35	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2)	N[5](N[5]C[5,6a]O)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2){1|O<1>,2|C<4>,3|C<3>}	N[5](N[5]C[5,6a]O)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	122.1450	0.000	1	122.1450	0.000	1	120.6697	0.260	20	119.5089	2.371	35	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2)	N[5](N[5]C[5,6a]Pd)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OPd)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2){1|Pd<4>,1|C<4>,1|H<1>,3|C<3>}	N[5](N[5]C[5,6a]Pd)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OPd){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	121.1280	0.000	1	121.1280	0.000	1	120.6697	0.260	20	119.5089	2.371	35	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2)	N[5](N[5]C[5,6a]Re)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(ORe)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2){1|Re<6>,1|C<4>,1|H<1>,3|C<3>}	N[5](N[5]C[5,6a]Re)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(ORe){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	120.9250	0.491	3	120.9250	0.241	3	120.6697	0.260	20	119.5089	2.371	35	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:2:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:O-2:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[6a]C[6a]2)(C[5]C[5]B)(N[5]O[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]B)(N[5]O[5]){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	117.5315	0.216	2	117.5315	0.047	2	117.9536	0.983	14	119.5089	2.371	35	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:2:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:O-2:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OH){1|N<2>,2|C<3>,2|H<1>}	118.8380	0.000	1	118.8380	0.000	1	117.9536	0.983	14	119.5089	2.371	35	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:2:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:O-2:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[6a]C[6a]2)(C[5]C[5]Mo)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OMo)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mo<5>,1|N<3>,2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]Mo)(N[5]N[5]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OMo){1|N<2>,2|C<3>,2|H<1>}	118.9460	0.000	1	118.9460	0.000	1	117.9536	0.983	14	119.5089	2.371	35	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:2:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:O-2:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[6a]C[6a]2)(C[5]C[5]Ni)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(ONi)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ni<4>,1|N<3>,2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]Ni)(N[5]N[5]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(ONi){1|N<2>,2|C<3>,2|H<1>}	116.4650	0.000	1	116.4650	0.000	1	117.9536	0.983	14	119.5089	2.371	35	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:2:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:O-2:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[6a]C[6a]2)(C[5]C[5]Ni)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(ONi)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ni<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Ni)(N[5]N[5]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(ONi){1|N<2>,2|C<3>,2|H<1>}	117.5450	0.590	3	117.3250	0.419	5	117.9536	0.983	14	119.5089	2.371	35	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:2:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:O-2:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[6a]C[6a]2)(C[5]C[5]Ni)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(ONi)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ni<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Ni)(N[5]N[5]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(ONi){1|N<2>,2|C<3>,2|H<1>}	116.9950	0.785	2	117.3250	0.419	5	117.9536	0.983	14	119.5089	2.371	35	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:2:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:O-2:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[6a]C[6a]2)(C[5]C[5]S)(N[5]O[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]S)(N[5]O[5]){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	118.7810	0.318	2	118.7810	0.101	2	117.9536	0.983	14	119.5089	2.371	35	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:2:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:O-2:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]O)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]O)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|C<4>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	118.9255	1.177	2	118.9255	1.386	2	117.9536	0.983	14	119.5089	2.371	35	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:2:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:S-2:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]S)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(SC)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]S){1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Cu<4>,1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(SC){1|N<2>,2|C<3>,2|H<1>}	118.0680	0.000	1	118.0680	0.000	1	118.0680	0.000	1	119.5089	2.371	35	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]N[5]2)	N[5](N[5]C[5,6a]O)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]N[5]2){1|O<1>,2|H<1>,3|C<3>}	N[5](N[5]C[5,6a]O)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHO){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	120.6570	0.000	1	120.6570	0.000	1	120.6570	0.000	1	121.2267	2.119	27	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:O-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2)	N[5](N[5]C[5,6a]Co)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OCo2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2){1|Co<6>,1|C<4>,4|C<3>}	N[5](N[5]C[5,6a]Co)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,1|O<3>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OCo2){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	120.7087	0.659	6	120.7087	0.434	6	120.9569	0.833	17	121.2267	2.119	27	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:O-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2)	N[5](N[5]C[5,6a]Ni)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(ONi2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2){1|Ni<6>,1|C<4>,4|C<3>}	N[5](N[5]C[5,6a]Ni)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,1|O<3>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(ONi2){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	121.3780	0.256	2	121.3682	0.610	9	120.9569	0.833	17	121.2267	2.119	27	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:O-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2)	N[5](N[5]C[5,6a]Ni)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(ONi2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2){1|Ni<6>,2|C<4>,3|C<3>}	N[5](N[5]C[5,6a]Ni)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,1|O<3>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(ONi2){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	121.3654	0.895	7	121.3682	0.610	9	120.9569	0.833	17	121.2267	2.119	27	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:O-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2)	N[5](N[5]C[5,6a]Zn)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OZn2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]N[5]2){1|Zn<6>,2|C<4>,3|C<3>}	N[5](N[5]C[5,6a]Zn)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,1|O<3>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OZn2){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	119.8510	1.394	2	119.8510	1.944	2	120.9569	0.833	17	121.2267	2.119	27	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:3:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:N-3:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	122.4715	0.407	2	122.4715	0.165	2	123.1343	0.467	6	121.2267	2.119	27	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:3:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:N-3:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	123.4657	0.532	4	123.4657	0.283	4	123.1343	0.467	6	121.2267	2.119	27	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:3:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:P-3:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Mo<6>,1|H<1>,1|P<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2){1|N<2>,2|C<3>,2|H<1>}	118.2980	0.000	1	118.2980	0.000	1	118.2980	0.000	1	121.2267	2.119	27	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:3:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:P[5]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]2)2	N[5](C[6a]C[6a]2)(C[5]P[5]N)(P[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]2)2{1|N<2>,1|N<3>,1|P<2>,2|H<1>,5|C<3>}	N[5](C[6a]C[6a]2)(C[5]P[5]N)(P[5]N[5]){5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|P<2>,2|C<4>,5|C<3>}	119.5455	1.340	2	119.5455	1.796	2	119.5455	1.796	2	121.2267	2.119	27	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	118.5795	1.330	2	118.5795	1.769	2	118.6298	1.087	4	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]){3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	118.6800	1.218	2	118.6800	1.483	2	118.6298	1.087	4	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]N[5]){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	118.8815	0.548	2	118.8815	0.300	2	118.6361	0.498	89	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]Br)(C[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Br)(C[5]N[5]){1|Br<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	118.1920	0.399	4	118.1920	0.159	4	118.6361	0.498	89	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]){1|H<1>,1|P<4>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	118.4660	0.334	2	118.5131	0.210	33	118.6361	0.498	89	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	118.4942	0.519	6	118.5131	0.210	33	118.6361	0.498	89	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	118.4695	0.506	15	118.5131	0.210	33	118.6361	0.498	89	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]){1|P<3>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	118.6960	0.154	2	118.5131	0.210	33	118.6361	0.498	89	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]){1|Si<4>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	118.5363	0.230	6	118.5131	0.210	33	118.6361	0.498	89	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]){3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	118.6920	1.109	2	118.5131	0.210	33	118.6361	0.498	89	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H){1|C<2>,2|C<3>,2|C<4>}	119.0293	0.096	4	119.0293	0.009	4	118.6361	0.498	89	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]CH){1|C<2>,2|C<3>,2|C<4>}	119.2235	0.767	4	119.2235	0.588	4	118.6361	0.498	89	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<2>,2|C<3>,2|C<4>}	119.0430	0.762	6	118.6956	0.804	26	118.6361	0.498	89	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<2>,2|C<3>,2|C<4>}	118.5573	0.965	18	118.6956	0.804	26	118.6361	0.498	89	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]){1|P<3>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<2>,2|C<3>,2|C<4>}	118.8980	0.475	2	118.6956	0.804	26	118.6361	0.498	89	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,1|P<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	118.5585	0.074	2	118.5585	0.006	2	118.6361	0.498	89	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,1|P<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<2>,2|C<3>,2|C<4>}	118.8310	0.465	2	118.8310	0.216	2	118.6361	0.498	89	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]Si)(C[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Si<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Si)(C[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	118.3938	0.359	6	118.3938	0.129	6	118.6361	0.498	89	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]C)(C[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]C)(C[5]N[5]){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<2>,2|C<3>,2|C<4>}	118.7870	0.704	2	118.7870	0.496	2	118.6361	0.498	89	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<4>,1|C<2>,1|C<3>,1|N<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H){1|C<2>,2|C<3>,2|C<4>}	118.6990	2.049	2	118.6990	4.199	2	118.6361	0.498	89	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<5>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<2>,2|C<3>,2|C<4>}	118.9690	2.148	2	118.9690	4.615	2	118.6361	0.498	89	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	B[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]B[5]N[5])(C[6a]C[6a]C)2	N[5](B[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]B[5]N[5])(C[6a]C[6a]C)2{1|C<4>,2|H<1>,3|C<3>}	N[5](B[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]){1|H<1>,2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	118.7375	0.080	2	118.7375	0.006	2	118.7375	0.006	2	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[6a]-3:C[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]N[5]){2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	118.8245	0.397	4	118.8245	0.158	4	118.8245	0.158	4	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[6a]-3:P[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5]P[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(P[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH)	C[6a](N[5]C[5,5]P[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(P[5]N[5]){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH){1|P<2>,2|C<3>,2|H<1>}	119.6538	0.787	10	119.6538	0.619	10	118.8527	1.720	18	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[6a]-3:P[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5]P[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(P[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,5]P[5])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(P[5]N[5]){2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|P<2>,2|C<3>}	117.8514	1.148	8	117.8514	1.318	8	118.8527	1.720	18	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[6a]-3:P[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5a]P[5])(C[6a]C[6a]C)2	N[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(P[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,5a]P[5])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(P[5]N[5]){2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|P<2>,2|C<3>}	117.5370	0.376	4	117.5370	0.141	4	117.5370	0.141	4	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]){1|O<1>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<2>,2|C<3>,2|C<4>}	118.8632	1.381	4	118.8632	1.907	4	118.8632	1.907	4	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Ga[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6a]Ga[5])(C[6a]C[6a]C)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(Ga[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,6a]Ga[5])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(Ga[5]N[5]){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<2>,1|C<4>,1|H<1>,2|C<3>}	119.8590	1.230	2	119.8590	1.514	2	119.8590	1.514	2	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Ge[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6a]Ge[5])(C[6a]C[6a]C)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(Ge[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,6a]Ge[5])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(Ge[5]N[5]){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ge<2>,1|C<4>,1|H<1>,2|C<3>}	118.9874	0.472	15	118.9874	0.223	15	118.9874	0.223	15	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:In[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6a]In[5])(C[6a]C[6a]C)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(In[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,6a]In[5])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(In[5]N[5]){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|In<2>,1|C<4>,1|H<1>,2|C<3>}	119.8095	0.848	2	119.8095	0.719	2	119.8095	0.719	2	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[5]N[5,6]H)(C[6a]C[6a]2)(N[5]C[5,6])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]N[5,6]H)(C[6a]C[6a]2)(N[5]C[5,6]){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH){1|N<2>,2|C<3>,2|H<1>}	119.8370	0.000	1	119.8370	0.000	1	118.1010	0.639	27	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Co<4>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	117.6549	0.699	8	117.7465	0.473	12	118.1010	0.639	27	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|I<1>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	117.6900	0.617	2	117.7465	0.473	12	118.1010	0.639	27	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Ir<4>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	118.1695	0.988	2	117.7465	0.473	12	118.1010	0.639	27	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]){1|Ir<6>,1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|C<4>}	118.3310	0.249	4	118.3310	0.062	4	118.1010	0.639	27	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[5]N[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]N[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5]){2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|C<4>}	118.3528	0.917	4	118.3528	0.841	4	118.1010	0.639	27	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[5]N[5,6]H)(C[6a]C[6a]2)(N[5]C[5,6])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]N[5,6]H)(C[6a]C[6a]2)(N[5]C[5,6]){2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|C<4>}	117.9540	1.500	2	117.9947	1.030	4	118.1010	0.639	27	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[5]N[5,6]H)(C[6a]C[6a]2)(N[5]C[5,6])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]N[5,6]H)(C[6a]C[6a]2)(N[5]C[5,6]){3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|C<4>}	118.0355	0.913	2	117.9947	1.030	4	118.1010	0.639	27	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[5]N[5,6]Se)(C[6a]C[6a]2)(N[5]C[5,6])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|Se<1>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]N[5,6]Se)(C[6a]C[6a]2)(N[5]C[5,6]){2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|C<4>}	118.6095	0.231	2	118.6095	0.053	2	118.1010	0.639	27	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:P[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[5]C[5,6]H)(C[6a]C[6a]2)(P[5]N[5,6])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]C[5,6]H)(C[6a]C[6a]2)(P[5]N[5,6]){2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|P<2>,2|C<3>}	117.8967	0.540	6	117.8967	0.292	6	118.2215	0.581	8	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:P[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[5]C[5,6a]H)(C[6a]C[6a]2)(P[5]C[5,6a])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{3|C<3>,3|H<1>}	N[5](C[5]C[5,6a]H)(C[6a]C[6a]2)(P[5]C[5,6a]){2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|P<2>,2|C<3>}	119.1960	0.269	2	119.1960	0.072	2	118.2215	0.581	8	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CF3)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Ru<6>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CF3){1|N<2>,2|C<3>,2|H<1>}	121.1220	0.000	1	121.1220	0.000	1	118.0688	0.915	189	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(CH3)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(CH3){1|N<2>,2|C<3>,2|H<1>}	120.1490	0.000	1	120.1490	0.000	1	118.0688	0.915	189	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]Br)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|Br<1>,1|C<2>,1|C<3>,1|N<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Br)(N[5]N[5]){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	117.7920	0.849	2	117.5912	0.272	6	118.0688	0.915	189	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]Br)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Br)(N[5]N[5]){1|Cu<3>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	117.4908	0.415	4	117.5912	0.272	6	118.0688	0.915	189	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	118.2170	0.508	2	117.7354	1.525	14	118.0688	0.915	189	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	116.7565	2.601	2	117.7354	1.525	14	118.0688	0.915	189	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]){1|Ir<4>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	117.6285	1.242	2	117.7354	1.525	14	118.0688	0.915	189	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]){1|Rh<4>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	117.7755	1.213	4	117.7354	1.525	14	118.0688	0.915	189	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]){1|Rh<6>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	117.9972	1.177	4	117.7354	1.525	14	118.0688	0.915	189	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(N[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	117.4865	0.036	2	117.4865	0.001	2	118.0688	0.915	189	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]Co)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|Co<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Co)(N[5]N[5]){2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	117.8480	0.298	8	117.8480	0.089	8	118.0688	0.915	189	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]Cu)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|Cu<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Cu)(N[5]N[5]){3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	117.9596	0.604	7	117.9107	0.345	11	118.0688	0.915	189	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]Cu)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|Cu<3>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Cu)(N[5]N[5]){1|Br<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	117.8253	0.637	4	117.9107	0.345	11	118.0688	0.915	189	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Cl<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	117.3485	0.484	2	117.7140	0.487	45	118.0688	0.915	189	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Ir<8>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	117.9050	0.595	6	117.7140	0.487	45	118.0688	0.915	189	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Pd<4>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	117.7859	1.052	8	117.7140	0.487	45	118.0688	0.915	189	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Re<6>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	117.8580	1.222	2	117.7140	0.487	45	118.0688	0.915	189	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Ru<5>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	117.8665	0.801	2	117.7140	0.487	45	118.0688	0.915	189	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Ru<6>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	117.4585	0.477	4	117.7140	0.487	45	118.0688	0.915	189	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Ru<9>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	117.6545	0.431	4	117.7140	0.487	45	118.0688	0.915	189	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Ru<9>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	117.8798	0.635	9	117.7140	0.487	45	118.0688	0.915	189	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	117.6345	0.917	4	117.7140	0.487	45	118.0688	0.915	189	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	117.3395	0.525	4	117.7140	0.487	45	118.0688	0.915	189	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|C<4>}	117.9470	0.153	2	118.0821	0.463	20	118.0688	0.915	189	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){1|Ru<9>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|C<4>}	118.1995	0.267	4	118.0821	0.463	20	118.0688	0.915	189	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|C<4>}	117.9510	1.171	4	118.0821	0.463	20	118.0688	0.915	189	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|C<4>}	118.1146	0.689	10	118.0821	0.463	20	118.0688	0.915	189	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]I)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|I<1>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]I)(N[5]N[5]){2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	117.7100	0.660	2	117.7100	0.436	2	118.0688	0.915	189	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]I)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|I<1>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]I)(N[5]N[5]){1|I<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|C<4>}	119.4321	1.111	16	119.1496	1.416	20	118.0688	0.915	189	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]I)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|I<1>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]I)(N[5]N[5]){3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|C<4>}	118.0192	0.819	4	119.1496	1.416	20	118.0688	0.915	189	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]Ir)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|Ir<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Ir)(N[5]N[5]){2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	117.9805	1.483	2	117.8529	0.818	8	118.0688	0.915	189	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]Ir)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|Ir<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Ir)(N[5]N[5]){3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	117.3845	1.310	2	117.8529	0.818	8	118.0688	0.915	189	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]Ir)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|Ir<8>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Ir)(N[5]N[5]){3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	118.0233	0.639	4	117.8529	0.818	8	118.0688	0.915	189	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|Pd<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5]){1|C<2>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|C<4>}	118.4915	0.240	2	118.4554	0.360	10	118.0688	0.915	189	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|Pd<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5]){2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|C<4>}	118.3407	0.518	6	118.4554	0.360	10	118.0688	0.915	189	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|Pd<5>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]N[5]){2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|C<4>}	118.7635	1.252	2	118.4554	0.360	10	118.0688	0.915	189	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]Re)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|Re<6>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Re)(N[5]N[5]){3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	117.9070	1.003	2	117.9070	1.005	2	118.0688	0.915	189	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|Rh<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5]){3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	117.9995	0.510	4	118.1262	0.358	12	118.0688	0.915	189	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|Rh<6>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5]){3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	118.2040	0.773	6	118.1262	0.358	12	118.0688	0.915	189	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|Rh<7>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Rh)(N[5]N[5]){2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	118.1460	0.273	2	118.1262	0.358	12	118.0688	0.915	189	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]Ru)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|Ru<5>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Ru)(N[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	117.6795	0.054	2	117.8583	0.766	6	118.0688	0.915	189	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]Ru)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|Ru<9>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Ru)(N[5]N[5]){3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	117.9477	1.115	4	117.8583	0.766	6	118.0688	0.915	189	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]Ru)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|Ru<9>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Ru)(N[5]N[5]){3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	118.0714	1.130	5	118.0714	1.278	5	118.0688	0.915	189	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]S)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,1|S<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]S)(N[5]N[5]){3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|C<4>}	118.4725	0.271	2	117.9360	1.548	6	118.0688	0.915	189	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]S)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]S)(N[5]N[5]){3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|C<4>}	117.6677	1.506	4	117.9360	1.548	6	118.0688	0.915	189	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]Se)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|Se<1>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Se)(N[5]N[5]){3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|C<4>}	117.8530	2.184	2	118.0477	1.160	6	118.0688	0.915	189	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]Se)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|Se<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Se)(N[5]N[5]){3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|C<4>}	118.1450	0.554	4	118.0477	1.160	6	118.0688	0.915	189	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]){2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|C<4>}	118.4565	0.939	4	118.4565	0.882	4	118.0688	0.915	189	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:P[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]C)(P[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(P[5]N[5]){3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|P<2>,2|C<3>}	118.8023	0.551	8	118.8023	0.304	8	118.9062	0.750	46	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:P[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]C)(P[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(P[5]N[5]){3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|P<2>,2|C<3>}	119.1160	0.772	4	118.6956	0.480	12	118.9062	0.750	46	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:P[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]C)(P[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(P[5]N[5]){3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|P<2>,2|C<3>,2|C<4>}	118.4854	0.590	8	118.6956	0.480	12	118.9062	0.750	46	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:P[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(P[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(P[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|P<2>,2|C<3>}	118.6366	0.989	12	118.6366	0.977	12	118.9062	0.750	46	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:P[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(P[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(P[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|P<2>,2|C<3>}	118.9350	0.675	4	119.3771	0.846	14	118.9062	0.750	46	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:P[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(P[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(P[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|P<2>,2|C<3>,2|C<4>}	119.5540	0.974	10	119.3771	0.846	14	118.9062	0.750	46	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:Se[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Se<2>,1|C<4>,1|H<1>,2|C<3>}	118.0525	0.091	2	118.0525	0.008	2	118.0525	0.008	2	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:Si[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(Si[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(Si[5]N[5]){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|Si<2>,2|C<3>,2|C<4>}	119.2017	0.495	3	119.2017	0.245	3	119.2017	0.245	3	118.3960	0.908	419	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(N[5]C[5]2){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	118.9195	0.262	2	118.9195	0.069	2	118.9195	0.069	2	118.8471	3.371	7	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(N[5]C[5]2){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<3>,1|N<2>,6|H<1>}	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	120.0300	0.000	1	120.0300	0.000	1	120.0830	0.006	2	118.8471	3.371	7	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(N[5]C[5]2){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<3>,1|N<2>,1|O<2>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a])(H){1|H<1>,1|O<2>,3|C<3>}	120.1360	0.000	1	120.1360	0.000	1	120.0830	0.006	2	118.8471	3.371	7	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:O[6a]-2:O-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(O[6a]C[6a,6a])(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(N[5]C[5]2){1|N<3>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(O[6a]C[6a,6a])(O){1|H<1>,4|C<3>}	115.0710	0.000	1	115.0710	0.000	1	115.0710	0.000	1	118.8471	3.371	7	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:2:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Se)	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a])(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|Se<1>,1|H<1>,1|N<3>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Se){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a])(H){1|F<1>,1|H<1>,3|C<3>}	120.4650	0.000	1	120.4650	0.000	1	120.4650	0.000	1	118.8471	3.371	7	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:2:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]N)(C[6a]N[6a]H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a])(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a])(H){1|H<1>,2|C<3>,2|N<3>}	118.3890	0.000	1	118.3890	0.000	1	118.3890	0.000	1	118.8471	3.371	7	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[5,6a]C[6a])(C[5]C[5,5,6]O)2	C[6a](C[6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|H<1>,2|O<1>,4|C<4>}	N[5](C[6a]C[5,6a]C[6a])(C[5]C[5,5,6]O)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	121.0530	0.000	1	121.0530	0.000	1	121.3257	0.303	4	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)2	C[6a](C[6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|H<1>,2|O<1>,4|C<4>}	N[5](C[6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	121.4167	0.636	3	121.4167	0.404	3	121.3257	0.303	4	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]O)2	C[6a](C[6a]C[5a,6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,1|N<2>,1|S<2>,2|O<1>,3|C<3>}	N[5](C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]O)2{1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[5a,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	121.3230	0.000	1	121.3230	0.000	1	120.5146	0.631	7	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[5a,6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	N[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a,6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	120.8775	0.159	2	120.4053	0.681	3	120.5146	0.631	7	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[5a,6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	N[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(C[5]N[5]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	119.4610	0.000	1	120.4053	0.681	3	120.5146	0.631	7	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[5a,6a]C[6a])(C[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[6a]C[5a,6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5]C[5]2){1|Ni<4>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[5](C[6a]C[5a,6a]C[6a])(C[5]N[5]Ni)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a,6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	121.0170	0.000	1	121.0170	0.000	1	120.5146	0.631	7	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[5a,6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,3|H<1>,4|C<3>}	N[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	119.3170	0.000	1	119.3170	0.000	1	120.5146	0.631	7	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[5a,6a]C[6a])(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[5a,6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(N[5]C[5]2){1|Pd<4>,1|N<3>,2|H<1>,4|C<3>}	N[5](C[6a]C[5a,6a]C[6a])(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	120.7290	0.000	1	120.7290	0.000	1	120.5146	0.631	7	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6,6a]C[6a])(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6,6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	N[5](C[6a]C[6,6a]C[6a])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.7632	0.427	8	118.7632	0.182	8	118.7719	0.479	11	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6,6a]C[6a])(C[5]C[5]O)2	C[6a](C[6a]C[6,6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(N[5]C[5]2){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	N[5](C[6a]C[6,6a]C[6a])(C[5]C[5]O)2{1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	120.1570	0.000	1	120.1570	0.000	1	118.7719	0.479	11	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6,6a]C[6a])(C[5]N[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6,6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(N[5]C[5]2){1|Rh<6>,1|H<1>,1|N<3>,2|C<4>,3|C<3>}	N[5](C[6a]C[6,6a]C[6a])(C[5]N[5]Rh)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	118.1140	0.856	2	118.1140	0.732	2	118.7719	0.479	11	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a,6a]H)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|Pd<4>,1|N<3>,3|H<1>,4|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a,6a]H)(H){5|C<3>}	118.7005	1.255	2	118.7005	1.575	2	119.5057	0.874	27	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]N[5]Se)(C[5]C[5]H)	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6,6a]H)(H)	C[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|Se<1>,1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]N[5]Se)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6,6a]H)(H){2|N<3>,3|C<3>}	118.0400	0.000	1	118.0400	0.000	1	119.5057	0.874	27	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,5,6]O)2	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,5,6]O)2{2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	118.9320	0.391	3	118.9320	0.153	3	119.5057	0.874	27	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6,6]O)2	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6,6]O)2{2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	118.9040	0.000	1	118.9040	0.000	1	119.5057	0.874	27	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)2	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2){2|H<1>,2|O<1>,5|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)2{1|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	119.3025	1.467	4	119.3025	2.151	4	119.5057	0.874	27	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]O)2	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]O)2{3|C<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	119.6820	0.242	2	119.6820	0.058	2	119.5057	0.874	27	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|Ir<6>,1|N<3>,3|H<1>,4|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H){1|C<2>,4|C<3>}	118.6100	0.000	1	118.6100	0.000	1	119.5057	0.874	27	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[3,5]O)2	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,2|C<4>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[3,5]O)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	120.0860	0.000	1	120.0860	0.000	1	119.5057	0.874	27	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6,6]O)2	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,2|C<4>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6,6]O)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	119.3740	0.000	1	119.3740	0.000	1	119.5057	0.874	27	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C)(C[5]C[5,6a]O)	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,1|O<1>,6|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C)(C[5]C[5,6a]O){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	119.3380	0.696	2	119.3380	0.484	2	119.5057	0.874	27	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]N)(C[5]C[5,6a]O)	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,1|N<2>,1|O<1>,5|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]N)(C[5]C[5,6a]O){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	120.9575	0.698	2	120.9575	0.487	2	119.5057	0.874	27	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)2	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,2|O<1>,5|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)2{1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	119.7195	0.187	2	119.7195	0.035	2	119.5057	0.874	27	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(C[5]C[5]O)	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(C[5]C[5]O){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	119.6220	0.000	1	119.6220	0.000	1	119.5057	0.874	27	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]O)2	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,2|C<4>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]O)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	120.4555	0.035	2	120.3042	0.073	4	119.5057	0.874	27	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]O)2	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,2|C<4>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]O)2{1|N<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	119.9030	0.000	1	120.3042	0.073	4	119.5057	0.874	27	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]O)2	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,2|O<1>,5|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]O)2{1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	120.4030	0.000	1	120.3042	0.073	4	119.5057	0.874	27	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5]C[5,6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]N[5]H)	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a,6a]H)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5]C[5,6a]C[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]N[5]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a,6a]H)(H){5|C<3>}	118.1490	0.000	1	118.1490	0.000	1	118.1490	0.000	1	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	B[5]-3:C[6a]-3:B[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]B[5]2)	N[5](B[5]B[5]N[5])(C[6a]C[6a]2)(B[5]B[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]B[5]2){1|C<3>,2|B<3>,2|H<1>,2|N<3>}	N[5](B[5]B[5]N[5])(C[6a]C[6a]2)(B[5]B[5]N){2|H<1>,3|C<3>,3|N<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|B<3>,2|H<1>}	120.6423	1.417	8	120.6423	2.008	8	120.6423	2.008	8	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(N[5]C[5]2){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H){2|C<4>,2|H<1>,4|C<3>}	116.9060	0.000	1	116.9060	0.000	1	116.9060	0.000	1	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[5])(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[5])(H){1|H<1>,1|N<3>,5|C<3>}	119.6880	0.000	1	119.6880	0.000	1	119.6880	0.000	1	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(N[5]C[5]2)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N[5])(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(N[5]C[5]2){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N[5])(H){1|C<4>,1|F<1>,1|O<2>,4|C<3>}	120.6923	0.640	3	120.6923	0.409	3	120.6923	0.409	3	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5])(H){2|H<1>,5|C<3>}	120.6885	1.423	2	120.6885	2.026	2	120.1612	1.352	5	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N[5])(H){1|H<1>,5|C<3>}	118.5510	0.000	1	118.5510	0.000	1	120.1612	1.352	5	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,2|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5])(H){1|N<2>,2|H<1>,4|C<3>}	120.4390	0.277	2	120.4390	0.077	2	120.1612	1.352	5	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|Br<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	121.0470	0.000	1	121.0470	0.000	1	121.0470	0.000	1	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	120.8730	0.000	1	120.8730	0.000	1	120.8730	0.000	1	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(N[5]C[5]2)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6,6a]H)(F)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(N[5]C[5]2){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6,6a]H)(F){1|H<1>,1|O<2>,3|C<3>}	120.5407	0.692	3	120.5407	0.479	3	120.9927	0.908	38	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){1|F<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F){2|H<1>,3|C<3>}	120.3040	0.000	1	120.3040	0.000	1	120.9927	0.908	38	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){1|F<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F){2|H<1>,3|C<3>}	119.8190	0.000	1	121.0327	1.217	3	120.9927	0.908	38	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,1|O<2>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F){1|Cl<1>,1|H<1>,3|C<3>}	121.6395	0.474	2	121.0327	1.217	3	120.9927	0.908	38	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[5]C[5]2){1|F<1>,1|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|F<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]F)(F){1|F<1>,1|H<1>,3|C<3>}	118.9257	1.080	3	118.9257	1.167	3	120.9927	0.908	38	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|F<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F){2|H<1>,3|C<3>}	120.0220	0.000	1	120.0220	0.000	1	120.9927	0.908	38	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)2(N[5]C[5]2){1|N<2>,2|C<4>,2|F<1>,2|O<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|F<1>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]N[6a]F)(F){1|F<1>,3|C<3>}	121.4010	0.642	4	121.4010	0.412	4	120.9927	0.908	38	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(N[5]C[5]2)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(N[5]C[5]2){1|C<3>,2|C<4>,2|F<1>,2|O<1>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|F<1>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]F)(F){2|F<1>,3|C<3>}	120.9266	0.554	8	120.9266	0.307	8	120.9927	0.908	38	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(N[5]C[5]2)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F)	C[6a](C[6a]C[6a]F)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|F<1>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F){1|F<1>,1|H<1>,3|C<3>}	121.6257	0.639	9	121.6115	0.349	11	120.9927	0.908	38	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(N[5]C[5]2)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F)	C[6a](C[6a]C[6a]F)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|F<1>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F){2|F<1>,3|C<3>}	121.5480	0.461	2	121.6115	0.349	11	120.9927	0.908	38	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(N[5]C[5]2)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(N[5]C[5]2){1|C<3>,2|C<4>,2|F<1>,2|O<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){1|C<4>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]F)(F){2|F<1>,3|C<3>}	120.8755	0.385	2	120.8755	0.149	2	120.9927	0.908	38	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(N[5]C[5]2){2|F<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|F<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]F)(F){2|F<1>,3|C<3>}	121.7030	0.208	2	121.7030	0.043	2	120.9927	0.908	38	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N[5])(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N[5])(H){1|H<1>,1|N<3>,3|C<3>}	118.3100	0.000	1	118.3100	0.000	1	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[5])(H){1|H<1>,4|C<3>}	117.3565	1.273	2	117.3565	1.622	2	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[5])(H){1|H<1>,4|C<3>}	120.1560	0.000	1	120.1560	0.000	1	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,2|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[5])(H){1|H<1>,1|N<2>,3|C<3>}	118.8205	0.194	2	118.8205	0.038	2	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[5]C[5]2){1|N<2>,2|H<1>,2|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	118.8200	0.000	1	118.8200	0.000	1	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|Br<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	119.0000	0.000	1	119.0000	0.000	1	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[4,5,6]O)(C[5]C[4,5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[4,5,6]O)(C[5]C[4,5]O)(C[6a]C[6a]2){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	114.1660	0.348	2	114.4727	0.343	3	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[4,5,6]O)(C[5]C[4,5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[4,5,6]O)(C[5]C[4,5]O)(C[6a]C[6a]2){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	115.0860	0.000	1	114.4727	0.343	3	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[4,5]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[4,5]O)2(C[6a]C[6a]2){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	114.4520	0.089	4	114.4520	0.008	4	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	117.9420	0.000	1	117.9420	0.000	1	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]F)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|F<1>,1|H<1>,2|C<4>,2|O<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,3|C<3>}	116.8890	0.000	1	116.8890	0.000	1	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	117.4234	0.577	7	117.3437	0.248	10	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	117.1577	0.205	3	117.3437	0.248	10	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	117.8920	0.000	1	117.8920	0.000	1	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	117.5303	0.830	3	117.5303	0.689	3	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|N<2>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H)(H){1|C<4>,3|C<3>}	118.4540	0.653	2	118.4540	0.427	2	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	114.8200	0.000	1	114.8200	0.000	1	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,3|C<3>}	114.9120	0.000	1	117.0293	3.366	3	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,2|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	118.0880	0.086	2	117.0293	3.366	3	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	119.2170	0.000	1	118.7576	0.936	9	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,2|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	120.1990	0.000	1	118.7576	0.936	9	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	118.9350	0.000	1	118.7576	0.936	9	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	119.8790	0.000	1	118.7576	0.936	9	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	118.7580	0.000	1	118.7576	0.936	9	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	117.7427	0.629	3	118.7576	0.936	9	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	118.6020	0.000	1	118.7576	0.936	9	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5a]N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[5a]N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.0760	0.000	1	119.0760	0.000	1	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H){2|Cl<1>,3|C<3>}	118.8000	0.000	1	118.8000	0.000	1	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){1|F<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	121.3380	0.000	1	121.3380	0.000	1	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){1|F<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	121.7040	0.000	1	121.7040	0.000	1	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,1|O<2>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H){1|Cl<1>,1|F<1>,3|C<3>}	119.6965	0.374	2	119.6965	0.140	2	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[5]C[5]2){1|F<1>,1|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|F<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|F<1>,3|C<3>}	121.3717	0.750	3	121.1450	0.581	4	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|F<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	120.4650	0.000	1	121.1450	0.581	4	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|H<1>,1|I<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,3|C<3>}	118.6025	0.462	2	118.6025	0.213	2	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.7290	0.000	1	118.7290	0.000	1	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	117.7660	0.000	1	117.7660	0.000	1	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.1340	0.000	1	118.1340	0.000	1	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<2>,1|C<3>,1|H<1>,2|C<4>,2|O<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	119.4900	0.000	1	119.4900	0.000	1	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>,2|O<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,3|C<3>}	119.3365	0.124	2	119.3365	0.015	2	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|O<2>,3|C<3>}	121.2240	0.000	1	120.3726	0.494	9	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	120.2661	0.670	8	120.3726	0.494	9	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H){1|H<1>,1|O<2>,3|C<3>}	119.9020	0.000	1	119.9020	0.000	1	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.4942	1.192	9	119.4942	1.420	9	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	120.3380	0.000	1	120.3380	0.000	1	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<2>,1|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	120.8020	0.000	1	120.8020	0.000	1	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Cl<1>,1|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,3|C<3>}	120.2670	0.000	1	120.2670	0.000	1	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	120.1660	0.000	1	119.6943	0.177	10	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,1|O<2>,3|C<3>}	119.8940	0.000	1	119.6943	0.177	10	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.6104	0.461	7	119.6943	0.177	10	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	119.6100	0.000	1	119.6943	0.177	10	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[5]C[5]2)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){1|S<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	118.1477	0.634	3	118.1477	0.403	3	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|H<1>,1|S<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	119.0540	0.000	1	119.0540	0.000	1	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(N[5]C[5]2){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	121.7250	0.238	2	121.7250	0.056	2	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(N[5]C[5]2){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	121.7375	0.779	2	121.7375	0.606	2	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(N[5]C[5]2)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(N[5]C[5]2){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	120.8000	0.629	3	120.8000	0.396	3	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[3x5,6,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[3x5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.1515	0.849	2	119.1515	0.721	2	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[3x5]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[3x5]O)2(C[6a]C[6a]2){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	120.0525	1.193	2	120.0525	1.423	2	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[4,5]O)(C[5]N[4,5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	N[5](C[5]C[4,5]O)(C[5]N[4,5]O)(C[6a]C[6a]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.4040	0.102	2	119.4040	0.010	2	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[4,5]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[4,5]O)2(C[6a]C[6a]2){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.4305	1.438	2	119.3622	0.657	6	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[4,5]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[4,5]O)2(C[6a]C[6a]2){2|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.2425	0.807	2	119.3622	0.657	6	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[4,5]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[4,5]O)2(C[6a]C[6a]2){2|Cl<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.4135	0.725	2	119.3622	0.657	6	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,3x6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,3x6]O)2(C[6a]C[6a]2){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.3765	0.094	2	119.3765	0.009	2	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5,6,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.4710	0.815	2	119.4710	0.664	2	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)(C[5]C[5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5,6]O)(C[5]C[5,6]O)(C[6a]C[6a]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.6423	0.393	4	119.6423	0.154	4	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	118.1855	0.588	2	118.1855	0.345	2	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|Cl<1>,1|C<3>,2|C<4>,2|O<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	118.9025	1.221	2	118.9025	1.491	2	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.5075	0.158	2	119.5030	0.502	84	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.2305	0.387	2	119.5030	0.502	84	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.6202	0.848	4	119.5030	0.502	84	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.0630	0.346	6	119.5030	0.502	84	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	119.8775	1.325	4	119.5030	0.502	84	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.2855	0.855	8	119.5030	0.502	84	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.9627	0.927	4	119.5030	0.502	84	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.3755	0.599	54	119.5030	0.502	84	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]C)(C[5]C[5,5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,5]C)(C[5]C[5,5]O)(C[6a]C[6a]2){1|O<2>,1|S<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.6000	0.126	2	119.6000	0.016	2	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]O)(C[5]N[5,5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5]O)(C[5]N[5,5]O)(C[6a]C[6a]2){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.6075	0.388	2	119.6075	0.151	2	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Br)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Br<1>,1|C<3>,1|H<1>,2|C<4>,2|O<1>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Br)(H){2|H<1>,3|C<3>}	118.5570	0.078	2	118.5570	0.006	2	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Br<1>,1|C<3>,1|H<1>,2|C<4>,2|O<1>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.0110	0.706	2	119.5695	0.706	104	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	119.4639	1.003	8	119.5695	0.706	104	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.3406	0.662	10	119.5695	0.706	104	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.2615	2.015	2	119.5695	0.706	104	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	119.7955	1.054	2	119.5695	0.706	104	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.5105	1.330	2	119.5695	0.706	104	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.5930	0.180	2	119.5695	0.706	104	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.4317	0.895	6	119.5695	0.706	104	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.5507	1.014	12	119.5695	0.706	104	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.1825	0.733	2	119.5695	0.706	104	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	119.8999	0.955	12	119.5695	0.706	104	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	119.5725	0.308	6	119.5695	0.706	104	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.5781	0.766	36	119.5695	0.706	104	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.5800	2.082	2	119.5695	0.706	104	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5a]C)(C[5]N[5,5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,5a]C)(C[5]N[5,5a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.7025	0.566	2	119.7025	0.321	2	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,5a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	120.2085	0.279	2	119.7615	0.282	8	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,5a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.6125	0.522	6	119.7615	0.282	8	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	119.4785	0.881	4	119.4785	0.776	4	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]F)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|F<1>,2|O<1>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]F)(H){2|H<1>,3|C<3>}	119.1050	0.608	2	119.1050	0.370	2	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	120.6170	0.000	1	119.6859	1.035	49	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	119.4723	0.535	6	119.6859	1.035	49	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.9375	1.305	2	119.6859	1.035	49	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	120.0980	0.906	10	119.6859	1.035	49	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	120.0023	0.979	4	119.6859	1.035	49	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.2321	0.985	18	119.6859	1.035	49	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|P<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.0867	1.821	4	119.6859	1.035	49	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.9428	0.787	4	119.6859	1.035	49	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	118.2770	0.000	1	118.2770	0.000	1	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<2>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	120.1255	0.740	2	120.1255	0.548	2	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	120.4095	0.866	2	120.4095	0.750	2	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	119.3110	0.000	1	119.3110	0.000	1	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	119.9495	1.372	2	119.5767	0.508	125	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.5174	0.791	38	119.5767	0.508	125	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.4085	1.455	2	119.5767	0.508	125	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	119.7485	0.356	2	119.5767	0.508	125	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.7997	0.568	4	119.5767	0.508	125	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.5968	0.677	74	119.5767	0.508	125	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.2875	0.450	2	119.5767	0.508	125	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.2800	0.000	1	119.5767	0.508	125	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.0427	0.914	6	119.9422	0.428	14	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	119.8215	0.296	2	119.9422	0.428	14	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	119.5505	0.839	2	119.9422	0.428	14	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	120.2355	0.035	2	119.9422	0.428	14	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.8600	0.062	2	119.9422	0.428	14	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]O)(C[5]C[5,6a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,1|S<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]O)(C[5]C[5,6a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	118.7525	0.400	2	118.7525	0.160	2	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]N[5])(H){1|F<1>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	118.3520	1.481	2	118.3520	2.192	2	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Br)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Br<1>,1|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Br)(H){2|H<1>,3|C<3>}	118.8890	0.000	1	118.8890	0.000	1	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|C<4>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	119.6330	1.003	2	119.4787	0.574	3	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|O<1>,5|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	119.1700	0.000	1	119.4787	0.574	3	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]F)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|F<1>,1|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]F)(H){1|F<1>,1|H<1>,3|C<3>}	119.4250	0.000	1	119.4250	0.000	1	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Br<1>,1|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.8820	0.000	1	119.6895	0.556	89	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	121.4040	1.434	2	119.6895	0.556	89	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|F<1>,1|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	118.9620	0.000	1	119.6895	0.556	89	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|H<1>,1|I<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.3230	0.000	1	119.6895	0.556	89	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	121.2110	0.000	1	119.6895	0.556	89	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.4410	0.000	1	119.6895	0.556	89	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|H<1>,1|O<2>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.9190	0.000	1	119.6895	0.556	89	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|H<1>,1|O<2>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.4390	0.000	1	119.6895	0.556	89	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.8531	0.520	20	119.6895	0.556	89	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	118.8233	0.971	3	119.6895	0.556	89	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,3|C<3>}	119.2365	0.465	4	119.6895	0.556	89	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.5315	0.643	4	119.6895	0.556	89	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.9285	0.467	15	119.6895	0.556	89	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<6>,3|C<3>}	120.0420	1.130	2	119.6895	0.556	89	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	119.5814	0.616	8	119.6895	0.556	89	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.4631	0.828	24	119.6895	0.556	89	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]I)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|H<1>,1|I<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]I)(H){2|H<1>,3|C<3>}	119.3410	0.000	1	119.3410	0.000	1	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	119.7130	0.000	1	119.5030	0.088	2	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|N<3>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	119.2930	0.000	1	119.5030	0.088	2	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|H<1>,1|O<2>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	118.9350	0.000	1	119.6110	0.914	2	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|H<1>,1|O<2>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	120.2870	0.000	1	119.6110	0.914	2	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N[5])(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N[5])(H){1|H<1>,1|N<3>,5|C<3>}	118.5620	0.000	1	118.5620	0.000	1	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|H<1>,4|C<3>}	N[5](C[5]C[5a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Ir<6>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.4730	0.830	2	119.4730	0.689	2	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|H<1>,2|N<3>,3|C<3>}	N[5](C[5]C[6]N[5])2(C[6a]C[6a]2){2|Fe<6>,2|H<1>,2|N<3>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	118.7245	0.513	2	118.7245	0.263	2	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Co<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.5515	1.921	2	119.0475	1.011	6	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	118.7955	0.448	4	119.0475	1.011	6	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.5162	0.333	4	119.5162	0.111	4	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(C[6a]C[6a]2){1|Co<6>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.3855	1.200	2	119.0170	0.620	16	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(C[6a]C[6a]2){1|Fe<6>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.0409	0.724	10	119.0170	0.620	16	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(C[6a]C[6a]2){1|Fe<6>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	118.7825	1.107	2	119.0170	0.620	16	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(C[6a]C[6a]2){2|H<1>,2|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	118.7635	1.187	2	119.0170	0.620	16	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]N[5,6a]Ir)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]N[5,6a]Ir)(C[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|C<4>,3|C<3>}	122.9760	1.055	2	122.8415	0.786	4	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]N[5,6a]Ir)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]N[5,6a]Ir)(C[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|O<2>,3|C<3>}	122.7070	1.083	2	122.8415	0.786	4	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){2|H<1>,2|O<1>,5|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.2225	0.071	2	119.2225	0.005	2	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5]C[5]2){2|H<1>,2|O<1>,5|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.8510	0.000	1	119.8510	0.000	1	119.4573	1.203	676	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:I-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|H<1>,1|I<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(I){2|H<1>,3|C<3>}	121.3240	0.086	2	121.3240	0.007	2	121.3240	0.007	2	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:N[6a]-3:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(N[5]C[5]2){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a]C)(O){2|H<1>,3|C<3>}	115.6700	0.658	2	115.6700	0.432	2	115.9304	0.735	5	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:N[6a]-3:O-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(N[5]C[5]2)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(N[5]C[5]2){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a]C)(O){2|H<1>,3|C<3>}	116.1040	1.068	3	116.1040	1.140	3	115.9304	0.735	5	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[3x6]N[5])(C[6a]C[6a]2)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<1>,2|H<1>}	N[5](C[5]C[3x6]N[5])(C[6a]C[6a]2)(C[5]N[5]S){1|Br<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Br){1|F<1>,1|H<1>,3|C<3>}	120.9000	0.000	1	120.9000	0.000	1	120.9000	0.000	1	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[3x6]N[5])(C[6a]C[6a]2)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<1>,2|H<1>}	N[5](C[5]C[3x6]N[5])(C[6a]C[6a]2)(C[5]N[5]S){1|Br<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|F<1>,3|C<3>}	119.4170	0.000	1	119.4170	0.000	1	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Pd<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]Pd){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	116.6385	1.802	2	116.6385	3.249	2	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]H){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	117.6535	0.260	2	117.6535	0.067	2	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Pd<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Pd){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.4750	0.000	1	119.4750	0.000	1	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Rh)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Rh<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Rh){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.2280	0.392	2	119.1270	0.107	3	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Rh)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Rh<5>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Rh){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	118.9250	0.000	1	119.1270	0.107	3	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]N){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.9940	0.771	2	119.9940	0.594	2	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Pd<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Pd){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	117.9710	0.000	1	117.9710	0.000	1	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|N<2>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	120.4310	0.000	1	120.4310	0.000	1	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]B[6,6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|B<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]B[6,6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.4185	0.777	2	119.4185	0.604	2	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[3x6]N[5])(C[6a]C[6a]2)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<1>,2|H<1>}	N[5](C[5]C[3x6]N[5])(C[6a]C[6a]2)(C[5]N[5]S){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	119.6518	0.225	4	119.4638	0.228	10	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[3x6]N[5])(C[6a]C[6a]2)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<1>,2|H<1>}	N[5](C[5]C[3x6]N[5])(C[6a]C[6a]2)(C[5]N[5]S){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.2417	0.305	4	119.4638	0.228	10	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[3x6]N[5])(C[6a]C[6a]2)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<1>,2|H<1>}	N[5](C[5]C[3x6]N[5])(C[6a]C[6a]2)(C[5]N[5]S){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	119.5320	1.127	2	119.4638	0.228	10	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.0175	1.643	2	120.0899	0.464	8	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]C){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	120.1560	0.051	2	120.0899	0.464	8	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]C){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.9965	0.282	2	120.0899	0.464	8	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]C){2|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	120.1895	0.643	2	120.0899	0.464	8	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.8150	0.233	2	119.8150	0.054	2	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]N){1|C<4>,1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	119.7695	0.347	2	119.7730	0.123	4	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]N){1|C<4>,1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.7765	0.497	2	119.7730	0.123	4	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.2545	0.479	2	119.4969	0.535	24	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.2455	0.244	2	119.4969	0.535	24	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]O){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	119.3798	1.286	4	119.4969	0.535	24	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]O){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.3435	1.071	2	119.4969	0.535	24	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]O){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.4799	0.566	14	119.4969	0.535	24	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]N[5]O){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.8857	0.446	6	119.8857	0.199	6	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]S[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]S[5]N){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.9535	0.252	2	119.7550	0.106	4	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]S[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]S[5]N){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.5565	0.312	2	119.7550	0.106	4	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]S[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|S<1>,1|S<2>,2|H<1>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]S[5]S){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	119.7555	0.071	2	119.7555	0.005	2	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]S)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|S<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,5]S)(C[6a]C[6a]2)(C[5]C[5]C){2|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.4352	0.674	6	119.4352	0.454	6	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]S)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,1|S<1>,2|C<4>,2|H<1>}	N[5](C[5]C[5,5]S)(C[6a]C[6a]2)(C[5]C[5]O){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.4990	0.587	2	119.4990	0.344	2	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6]C)(C[6a]C[6a]2)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6]C)(C[6a]C[6a]2)(C[5]N[5]S){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	120.0460	1.242	2	120.0460	1.542	2	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]O[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]O[5]N){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	118.6355	1.170	2	118.6355	1.370	2	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]S[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|S<1>,1|S<2>,2|H<1>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]S[5]S){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.3075	2.375	2	119.3075	5.641	2	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,3|C<3>,3|H<1>}	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Ir<6>,2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	118.4467	0.661	4	118.4467	0.437	4	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5]S[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	N[5](C[5]C[5]S[5])(C[6a]C[6a]2)(C[5]C[5]C){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.0100	0.153	2	119.0100	0.023	2	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.9910	0.693	2	119.9910	0.480	2	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<2>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]N[5]S){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.6805	0.333	2	119.3335	0.236	6	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<2>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]N[5]S){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	119.0795	0.810	2	119.3335	0.236	6	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<2>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]N[5]S){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.2405	0.156	2	119.3335	0.236	6	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,3|C<3>,3|H<1>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Ir<6>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.5065	0.274	2	119.5065	0.075	2	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]N[5]C){1|Cu<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.0365	1.216	2	118.7767	0.867	10	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]N[5]C){1|Cu<6>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	118.0735	0.848	2	118.7767	0.867	10	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]N[5]C){1|Mn<6>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	118.5145	0.952	2	118.7767	0.867	10	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]N[5]C){2|Cu<5>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.1295	0.990	4	118.7767	0.867	10	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]N[5]H){1|Re<6>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	119.1175	0.394	2	119.1175	0.155	2	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]N){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	119.7180	1.324	2	119.4122	0.416	12	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]N){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.5052	0.226	6	119.4122	0.416	12	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]N){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.1200	0.815	4	119.4122	0.416	12	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Se[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Se<2>,1|N<2>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Se[5]N){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	119.3557	0.908	6	119.4599	0.970	12	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Se[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Se<2>,1|N<2>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Se[5]N){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<6>,3|C<3>}	119.5642	1.133	6	119.4599	0.970	12	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|Ir<6>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.5277	0.933	4	119.5277	0.870	4	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,1|S<1>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]S){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.4470	1.196	2	119.2505	0.621	4	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,1|S<1>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]S){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.0540	0.526	2	119.2505	0.621	4	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]C){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.7490	0.291	2	119.7490	0.085	2	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Pd<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Pd){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	119.5078	0.764	4	119.4122	0.576	6	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Pd<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Pd){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.2210	1.010	2	119.4122	0.576	6	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Re)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Re<5>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Re){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	118.9518	0.624	8	118.9518	0.390	8	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Ru)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Ru<5>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Ru){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.7545	1.464	2	119.8040	1.403	4	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Ru)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Ru<6>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Ru){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.8535	1.433	2	119.8040	1.403	4	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<2>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	119.6485	0.054	2	119.3795	0.278	26	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<2>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.2050	0.394	4	119.3795	0.278	26	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<2>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.5580	0.509	6	119.3795	0.278	26	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<2>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	119.9375	0.561	2	119.3795	0.278	26	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<2>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.3190	0.288	2	119.3795	0.278	26	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<2>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.2050	0.656	8	119.3795	0.278	26	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<2>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.1250	0.561	2	119.3795	0.278	26	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Tc)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Tc<5>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Tc){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.4445	0.156	2	119.4445	0.024	2	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]O[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<2>,1|O<2>,1|S<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]O[5]S){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.5535	0.723	2	119.5535	0.523	2	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]S[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|S<2>,2|C<3>,2|H<1>,2|N<2>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]S[5]N){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.1805	0.163	2	119.1805	0.027	2	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<2>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.0140	0.481	2	119.0140	0.231	2	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]Rh)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Rh<6>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]Rh){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.4590	0.272	2	119.4590	0.074	2	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]S[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|S<2>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]S[5])(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.1248	0.981	4	119.1248	0.963	4	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]S[5])(C[6a]C[6a]2)(C[5]C[5]Rh)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Rh<6>,1|S<2>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]S[5])(C[6a]C[6a]2)(C[5]C[5]Rh){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.4160	1.158	2	119.4160	1.342	2	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]N[5]N[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]N[5]N[6])(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.6350	0.382	4	119.6350	0.146	4	119.3756	0.632	215	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[4,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]N[5])(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]N[5])(H){1|C<4>,3|C<3>,3|H<1>}	118.5300	0.000	1	118.5300	0.000	1	118.5300	0.000	1	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H){1|H<1>,2|C<4>,5|C<3>}	118.6410	0.000	1	118.6410	0.000	1	118.9532	0.339	4	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,2|O<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	119.8240	0.000	1	119.8240	0.000	1	118.9532	0.339	4	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[5]C[5]2){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H){1|H<1>,2|C<4>,5|C<3>}	118.6740	0.068	2	118.6740	0.005	2	118.9532	0.339	4	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,2|O<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5])(H){1|N<2>,2|H<1>,4|C<3>}	119.7210	0.000	1	119.7210	0.000	1	120.8895	2.731	2	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(N[5]C[5]2){1|N<3>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5])(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	122.0580	0.000	1	122.0580	0.000	1	120.8895	2.731	2	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	120.9260	0.000	1	120.9260	0.000	1	120.3184	0.990	7	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]N){1|Cl<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	118.2180	0.000	1	118.2180	0.000	1	120.3184	0.990	7	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|Cl<1>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	120.8630	0.000	1	120.8630	0.000	1	120.3184	0.990	7	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(N[5]C[5]2){1|N<3>,1|S<1>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){2|Cl<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl){2|Cl<1>,3|C<3>}	120.5555	0.461	4	120.5555	0.213	4	120.3184	0.990	7	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F){2|C<4>,3|C<3>}	118.4090	0.000	1	118.4090	0.000	1	121.3189	1.891	26	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F){1|F<1>,1|H<1>,3|C<3>}	120.1180	0.505	2	120.1180	0.255	2	121.3189	1.891	26	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|F<1>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F){2|H<1>,3|C<3>}	119.6550	0.000	1	119.6550	0.000	1	121.3189	1.891	26	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[5]C[5]2){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F){2|H<1>,3|C<3>}	121.0860	0.375	2	121.0860	0.140	2	121.3189	1.891	26	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(N[5]C[5]2){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]F)(F){1|Br<1>,1|F<1>,3|C<3>}	120.7035	1.365	2	120.7035	1.864	2	121.3189	1.891	26	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)2(N[5]C[5]2){1|C<3>,1|N<2>,1|N<3>,2|F<1>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]N[6a]F)(F){1|F<1>,3|C<3>}	121.3210	0.331	2	121.3210	0.110	2	121.3189	1.891	26	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(N[5]C[5]2){2|F<1>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|N<3>,1|O<1>,2|C<3>,2|F<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]F)(F){2|F<1>,3|C<3>}	121.2370	0.017	2	121.2370	0.000	2	121.3189	1.891	26	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F)	C[6a](C[6a]C[6a]F)2(N[5]C[5]2){1|Mn<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]C){2|C<3>,2|F<1>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F){1|F<1>,1|H<1>,3|C<3>}	121.4385	0.689	2	121.3928	0.599	4	121.3189	1.891	26	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F)	C[6a](C[6a]C[6a]F)2(N[5]C[5]2){1|Mn<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]C){2|C<3>,2|F<1>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F){1|F<1>,1|H<1>,3|C<3>}	121.3470	1.146	2	121.3928	0.599	4	121.3189	1.891	26	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F)	C[6a](C[6a]C[6a]F)2(N[5]C[5]2){1|Rh<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|H<1>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F){1|F<1>,1|H<1>,3|C<3>}	121.6975	0.543	4	121.5999	1.096	8	121.3189	1.891	26	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F)	C[6a](C[6a]C[6a]F)2(N[5]C[5]2){1|Rh<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|H<1>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F){2|F<1>,3|C<3>}	121.5023	1.496	4	121.5999	1.096	8	121.3189	1.891	26	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]F)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]F)(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F){1|Ir<6>,1|F<1>,3|C<3>}	124.4635	0.088	2	124.4635	0.008	2	121.3189	1.891	26	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[4,6a]H)(H)	C[6a](C[6a]C[4,6a]H)(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[4,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.0650	0.000	1	119.0650	0.000	1	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[5,6a]H)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[5,6a]H)(H){1|H<1>,4|C<3>}	119.1930	0.000	1	119.1930	0.000	1	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[5,6a]H)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,2|O<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[5,6a]H)(H){1|H<1>,4|C<3>}	118.6670	0.000	1	118.6670	0.000	1	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[5,6a]H)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[5]C[5]2){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[5,6a]H)(H){1|H<1>,4|C<3>}	119.3930	0.494	2	119.3930	0.244	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N[5])(H)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N[5])(H){2|N<2>,3|C<3>}	119.1120	0.000	1	119.1120	0.000	1	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[5])(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,3|H<1>,5|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[5])(H){5|C<3>}	117.2560	0.000	1	117.2560	0.000	1	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[5])(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|Ir<6>,1|N<3>,2|H<1>,5|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[5])(H){5|C<3>}	120.0430	0.000	1	120.0430	0.000	1	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,2|O<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[5])(H){1|H<1>,1|N<2>,3|C<3>}	119.7660	0.000	1	119.7660	0.000	1	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]O){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	118.3740	0.000	1	118.3740	0.000	1	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	117.5290	0.000	1	117.5290	0.000	1	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	119.1370	0.778	2	117.9985	1.939	4	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	116.8600	0.163	2	117.9985	1.939	4	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){2|C<3>,2|N<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])2(H){2|C<4>,5|C<3>}	117.3170	0.665	2	117.3170	0.442	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]C[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|O<1>,1|S<1>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]C[5]S){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	118.8570	0.000	1	118.8570	0.000	1	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|S<1>,1|S<2>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]S){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	118.1150	0.000	1	118.1150	0.000	1	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	118.2420	0.000	1	116.0070	2.454	9	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	118.9720	0.000	1	116.0070	2.454	9	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	115.7735	0.373	2	116.0070	2.454	9	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	115.6880	0.000	1	116.0070	2.454	9	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	114.5115	0.095	2	116.0070	2.454	9	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	115.2955	0.026	2	116.0070	2.454	9	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Ir<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	118.5030	0.000	1	118.5285	0.001	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Ir<8>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	118.5540	0.000	1	118.5285	0.001	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Ir<6>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H){2|C<4>,3|C<3>}	118.2610	0.000	1	118.2610	0.000	1	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Ni<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.3610	1.662	2	119.3610	2.761	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Os<9>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	118.6490	0.000	1	118.6490	0.000	1	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	116.0035	2.184	4	116.7256	6.185	5	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Pd<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	119.6140	0.000	1	116.7256	6.185	5	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Pt<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	119.0475	0.494	2	119.6880	1.353	3	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Pt<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	120.9690	0.000	1	119.6880	1.353	3	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Rh<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	119.6660	0.000	1	118.1935	4.337	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Rh<8>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	116.7210	0.000	1	118.1935	4.337	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Ru<9>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	118.0250	0.000	1	118.0250	0.000	1	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|Cl<1>,3|C<3>}	118.9000	0.000	1	118.9000	0.000	1	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]N){1|Cl<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	117.1960	0.000	1	117.1960	0.000	1	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|Cl<1>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	119.6840	0.000	1	119.6840	0.000	1	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(N[5]C[5]2){2|C<3>,2|H<1>,2|N<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Co<6>,1|H<1>,3|C<3>}	124.5375	0.424	2	124.5375	0.179	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|F<1>,3|C<3>}	120.3190	0.710	2	120.3190	0.504	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|F<1>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	121.5130	0.000	1	121.5130	0.000	1	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[5]C[5]2){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	119.9870	0.262	2	119.9870	0.068	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|N<3>,3|C<3>}	117.4080	0.000	1	117.5365	0.181	4	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|N<3>,3|C<3>}	117.5793	0.510	3	117.5365	0.181	4	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|N<3>,1|S<1>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	118.7880	0.000	2	118.7880	0.000	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]N){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	116.8030	0.000	1	116.8030	0.000	1	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	120.2990	0.000	1	120.2990	0.000	1	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|Ir<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	117.9340	0.000	1	119.1297	2.310	3	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|Ir<8>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.6150	0.000	1	119.1297	2.310	3	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|Ir<8>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<4>,3|C<3>}	120.8400	0.000	1	119.1297	2.310	3	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|Ni<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.6500	0.400	4	119.3534	0.560	5	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|Ni<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.1670	0.000	1	119.3534	0.560	5	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	118.6350	0.799	3	118.6350	0.639	3	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.3433	0.842	7	119.3433	0.709	7	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|Pt<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	120.1900	0.908	2	120.1900	0.824	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|Rh<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	117.8510	0.000	1	118.5235	0.649	6	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|Rh<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|N<3>,3|C<3>}	119.5690	0.000	1	118.5235	0.649	6	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|Rh<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|N<3>,3|C<3>}	118.7950	0.206	2	118.5235	0.649	6	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|Rh<8>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<4>,3|C<3>}	118.0655	1.044	2	118.5235	0.649	6	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|Ru<9>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<4>,3|C<3>}	120.3105	0.209	2	120.3105	0.044	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]S[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]S[5]N){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	120.1970	0.000	1	120.1970	0.000	1	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	118.7790	0.000	1	118.5326	0.117	5	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Cu<4>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	118.9500	0.000	1	118.5326	0.117	5	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Cu<5>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	118.3113	0.209	3	118.5326	0.117	5	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.3560	0.000	1	119.3560	0.000	1	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|N<3>,1|P<4>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|Os<5>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	123.1000	0.000	1	123.1000	0.000	1	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.6930	0.338	2	119.6930	0.114	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(C[5]N[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	117.3010	0.146	2	117.3010	0.021	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]C)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<1>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]C)(C[5]N[5]S){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.3647	0.356	3	119.3647	0.127	3	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]H)2{1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	119.1470	0.000	1	119.1470	0.000	1	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Mn<5>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	119.2945	0.793	2	119.2945	0.628	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	119.1660	0.240	3	119.1660	0.058	3	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Os<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H){1|Os<5>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	120.0150	0.000	1	120.0150	0.000	1	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]C){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	118.7360	0.546	2	119.5676	1.277	5	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Pd<5>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]C){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	120.1220	1.120	3	119.5676	1.277	5	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	119.1285	0.404	6	118.2457	0.622	18	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	117.9757	0.572	6	118.2457	0.622	18	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	117.6315	0.500	4	118.2457	0.622	18	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Pd<5>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	117.6360	0.018	2	118.2457	0.622	18	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	117.5925	0.542	2	117.5925	0.294	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]F)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Pt<4>,1|F<1>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]F)(H){1|H<1>,1|O<2>,3|C<3>}	118.7635	2.166	2	118.7635	4.691	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	118.6163	0.624	3	118.6163	0.389	3	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Se<2>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]O){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	120.5440	0.000	1	120.5440	0.000	1	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(N[5]C[5]2){1|Rh<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	118.1280	0.000	1	118.9810	1.455	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(N[5]C[5]2){1|Rh<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	119.8340	0.000	1	118.9810	1.455	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(N[5]C[5]2){1|Ru<8>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|P<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	117.3825	0.015	2	117.3825	0.000	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|S<4>,3|C<3>}	118.5720	0.000	1	118.5720	0.000	1	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[5]C[5]2){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|S<4>,3|C<3>}	118.4425	0.496	2	118.4425	0.246	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(N[5]C[5]2){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<3>,1|N<2>,6|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	121.0910	0.000	1	121.0910	0.000	1	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){3|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.6575	0.848	2	119.6575	0.719	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]N){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.2805	0.206	2	120.2805	0.042	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.4185	0.945	2	120.0160	0.423	8	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.8655	0.610	2	120.0160	0.423	8	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	120.3220	0.530	2	120.0160	0.423	8	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,3|C<3>}	120.4580	0.279	2	120.0160	0.423	8	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|S<2>,2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]S){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.3125	0.114	2	119.3125	0.013	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]H){1|Mn<6>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.4790	0.290	2	119.4790	0.084	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	119.6325	0.786	2	119.8162	0.235	6	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.9745	0.442	2	119.8162	0.235	6	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.8415	0.491	2	119.8162	0.235	6	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]S){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.5965	0.511	2	119.5965	0.261	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.4635	0.029	2	119.9042	0.408	4	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,3|C<3>}	120.3450	0.668	2	119.9042	0.408	4	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|O<2>,1|S<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]S){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.8175	0.251	2	119.8175	0.063	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]S[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]S[5]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	118.9975	1.923	4	118.9975	3.698	4	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]S[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]S[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	119.0155	0.309	2	119.0155	0.095	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]S[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]S[5]N){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.6112	0.605	8	119.6102	0.301	12	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]S[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]S[5]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.5615	0.032	2	119.6102	0.301	12	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]S[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]S[5]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.6545	0.859	2	119.6102	0.301	12	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]S[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|S<1>,1|S<2>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]S[5]S){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	119.5375	0.844	2	119.5375	0.712	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	118.0190	0.000	1	118.0190	0.000	1	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.2775	0.861	4	119.5200	0.788	9	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	119.4020	0.757	2	119.5200	0.788	9	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	120.9840	0.000	1	119.5200	0.788	9	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.3910	1.034	2	119.5200	0.788	9	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	119.2573	0.505	3	119.0427	0.603	8	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	118.6575	0.851	4	119.0427	0.603	8	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	119.9400	0.000	1	119.0427	0.603	8	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.3593	0.053	3	119.5417	0.790	236	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.4990	1.113	2	119.5417	0.790	236	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.7500	0.686	2	119.5417	0.790	236	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.5524	0.773	16	119.5417	0.790	236	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	119.7870	0.668	2	119.5417	0.790	236	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.3230	1.272	16	119.5417	0.790	236	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.8795	1.399	2	119.5417	0.790	236	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	119.5298	1.274	6	119.5417	0.790	236	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.2188	0.611	24	119.5417	0.790	236	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Cd<6>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	120.0335	0.980	6	119.5417	0.790	236	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Co<6>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	120.1750	1.150	2	119.5417	0.790	236	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Cu<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	119.6762	1.161	4	119.5417	0.790	236	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Cu<5>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.9140	0.533	2	119.5417	0.790	236	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Cu<5>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	119.8120	1.028	2	119.5417	0.790	236	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Mg<5>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	119.6080	0.238	2	119.5417	0.790	236	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Mn<6>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	120.0658	0.505	4	119.5417	0.790	236	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Mn<6>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.3720	0.379	2	119.5417	0.790	236	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Ni<6>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	120.1650	1.011	2	119.5417	0.790	236	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Ni<6>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.9266	1.101	7	119.5417	0.790	236	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Pd<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	120.2650	0.933	2	119.5417	0.790	236	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Pd<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.5272	0.501	4	119.5417	0.790	236	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Re<6>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.1988	0.796	16	119.5417	0.790	236	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Rh<8>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	119.6248	0.589	6	119.5417	0.790	236	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Ru<9>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	119.9363	0.794	6	119.5417	0.790	236	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Zn<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	119.6548	0.924	8	119.5417	0.790	236	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	119.7600	1.423	2	119.5417	0.790	236	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.4353	1.055	27	119.5417	0.790	236	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	119.8606	0.916	28	119.5417	0.790	236	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.7530	1.225	2	119.5417	0.790	236	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	119.7140	0.733	2	119.5417	0.790	236	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	119.0430	0.784	8	119.5417	0.790	236	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.4392	0.778	6	119.5417	0.790	236	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	118.9180	0.685	4	119.5417	0.790	236	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.1802	0.296	6	119.5417	0.790	236	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	118.4930	0.000	1	119.5417	0.790	236	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|C<3>,2|N<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Cu<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.3975	0.152	2	119.5417	0.790	236	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	118.3835	0.391	2	118.3835	0.153	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])2(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|C<3>,2|H<1>,3|N<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])2(H){2|H<1>,5|C<3>}	119.0690	0.775	26	119.0312	0.495	34	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])2(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|C<3>,2|H<1>,3|N<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])2(H){2|H<1>,5|C<3>}	118.9312	0.466	6	119.0312	0.495	34	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])2(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|C<3>,2|N<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Cu<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])2(H){2|H<1>,5|C<3>}	118.8395	0.192	2	119.0312	0.495	34	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]I)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|I<1>,2|C<3>,2|H<1>,2|N<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]I){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	118.6995	0.026	2	118.6995	0.001	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]I)	C[6a](C[6a]C[6a]N[5])2(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|I<1>,2|C<3>,2|H<1>,2|N<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]I){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])2(H){2|H<1>,5|C<3>}	119.4425	0.078	2	119.4425	0.006	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|Ni<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.2949	1.147	8	119.2864	1.088	10	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|C<3>,2|N<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.2525	0.762	2	119.2864	1.088	10	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,1|P<4>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.1685	2.258	4	119.0712	2.150	10	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,1|P<4>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|Pd<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.0408	1.062	4	119.0712	2.150	10	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|P<3>,2|C<3>,2|H<1>,2|N<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	118.9375	0.767	2	119.0712	2.150	10	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[6a](C[6a]C[6a]N[5])2(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|P<3>,2|C<3>,2|H<1>,2|N<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])2(H){2|H<1>,5|C<3>}	119.1510	0.431	2	119.1510	0.186	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,1|S<1>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.1390	1.176	12	119.4574	2.269	65	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,1|S<1>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|P<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.5425	1.961	2	119.4574	2.269	65	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,1|S<1>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|P<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.3333	0.739	6	119.4574	2.269	65	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,1|S<1>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.5920	1.340	4	119.4574	2.269	65	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,1|S<2>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.6020	2.607	11	119.4574	2.269	65	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,1|S<2>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.5436	1.353	26	119.4574	2.269	65	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,1|S<2>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|Co<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.4640	0.900	4	119.4574	2.269	65	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|H<1>,1|N<3>,1|S<1>,2|C<3>,2|O<2>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	118.5285	0.972	4	118.5285	0.944	4	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]S[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|I<1>,1|S<1>,1|S<2>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]S[5]S){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.3450	0.000	1	119.3450	0.000	1	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]S[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]I)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|I<1>,1|S<1>,1|S<2>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]S[5]S){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]I)(H){2|H<1>,3|C<3>}	118.1150	0.000	1	118.1150	0.000	1	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]C[5]O){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	119.5315	0.688	2	119.5752	0.523	6	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]C[5]O){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	119.5970	0.844	4	119.5752	0.523	6	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]N[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]N[5]O){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.5985	0.245	2	119.5985	0.060	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,3|C<3>}	120.0955	1.483	4	119.8729	1.157	8	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.9495	0.334	2	119.8729	1.157	8	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.3510	0.795	2	119.8729	1.157	8	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]N){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.7325	0.224	2	119.6444	0.695	24	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]N){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	120.3025	0.211	2	119.6444	0.695	24	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]N){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.8965	0.725	8	119.6444	0.695	24	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]N){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	118.9875	0.091	2	119.6444	0.695	24	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]N){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.0938	1.306	4	119.6444	0.695	24	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.6455	0.850	6	119.6444	0.695	24	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	118.5797	0.566	3	118.5797	0.320	3	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.4800	0.008	2	119.8862	0.409	17	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.6720	0.035	2	119.8862	0.409	17	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.4470	0.122	2	119.8862	0.409	17	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.5910	0.115	2	119.8862	0.409	17	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	120.5627	0.709	3	119.8862	0.409	17	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	120.0100	1.010	4	119.8862	0.409	17	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.9790	0.107	2	119.8862	0.409	17	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]S){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.4417	0.379	4	119.4413	0.702	12	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<1>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]S){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.2450	1.274	2	119.4413	0.702	12	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]S){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	119.6125	0.443	2	119.4413	0.702	12	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]S){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.4535	1.333	4	119.4413	0.702	12	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	118.7560	0.072	2	118.7560	0.005	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.5705	0.804	6	119.3070	0.605	14	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.2175	0.187	2	119.3070	0.605	14	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	118.6123	0.333	4	119.3070	0.605	14	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.9955	0.975	2	119.3070	0.605	14	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]C){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.1942	0.702	8	119.2376	0.392	10	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]C){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.4110	0.078	2	119.2376	0.392	10	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]N){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.1455	1.207	2	119.4133	0.413	14	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]N){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	119.3555	0.578	2	119.4133	0.413	14	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]N){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.5370	1.305	2	119.4133	0.413	14	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]N){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	119.3822	0.591	4	119.4133	0.413	14	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]N){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.5453	0.439	4	119.4133	0.413	14	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|S<2>,2|H<1>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.6425	0.585	2	119.7845	0.294	4	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|S<2>,2|H<1>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]O){1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.9265	0.677	2	119.7845	0.294	4	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|S<1>,1|S<2>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]S){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.1315	0.872	2	119.4103	0.283	12	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|S<1>,1|S<2>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]S){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	119.4925	0.499	2	119.4103	0.283	12	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|S<1>,1|S<2>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]S){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.4093	0.544	4	119.4103	0.283	12	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|S<1>,1|S<2>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]S){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.4030	0.158	2	119.4103	0.283	12	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|S<1>,1|S<2>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]S){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.6165	0.968	2	119.4103	0.283	12	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Br)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Br<1>,1|C<3>,1|H<1>,2|C<4>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Br)(H){2|H<1>,3|C<3>}	120.3620	0.000	1	120.3620	0.000	1	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,2|O<2>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	119.6610	0.000	1	119.3272	0.607	5	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	118.9010	0.000	1	119.3272	0.607	5	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	119.5530	0.000	1	119.3272	0.607	5	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|O<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	119.2605	1.440	2	119.3272	0.607	5	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	119.2530	0.000	1	119.1400	0.108	3	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Cl<1>,1|H<1>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	118.7700	0.000	1	119.1400	0.108	3	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Cl<1>,1|H<1>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	119.3970	0.000	1	119.1400	0.108	3	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Br<1>,1|C<3>,1|H<1>,2|C<4>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	118.2710	0.000	1	119.7435	0.564	153	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.4920	0.000	1	119.7435	0.564	153	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,2|O<2>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	118.9630	0.000	1	119.7435	0.564	153	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.3460	0.000	1	119.7435	0.564	153	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.6620	0.000	1	119.7435	0.564	153	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	119.6496	0.685	16	119.7435	0.564	153	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.4684	0.858	10	119.7435	0.564	153	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	121.3190	0.793	2	119.7435	0.564	153	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|Ru<10>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	120.2960	0.642	2	119.7435	0.564	153	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|Ru<8>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.7927	0.298	4	119.7435	0.564	153	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,2|S<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.4060	1.198	2	119.7435	0.564	153	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.9290	0.796	2	119.7435	0.564	153	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	120.0572	1.359	5	119.7435	0.564	153	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.9660	0.703	2	119.7435	0.564	153	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	119.0440	0.617	2	119.7435	0.564	153	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.8270	0.392	4	119.7435	0.564	153	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.7490	0.000	1	119.7435	0.564	153	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.4190	0.267	2	119.7435	0.564	153	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.3110	0.783	2	119.7435	0.564	153	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.0450	0.888	2	119.7435	0.564	153	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.4965	0.786	2	119.7435	0.564	153	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.6280	0.000	1	119.7435	0.564	153	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Cl<1>,1|H<1>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.1540	0.000	1	119.7435	0.564	153	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Cl<1>,1|H<1>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.7690	0.000	1	119.7435	0.564	153	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.7215	1.175	2	119.7435	0.564	153	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	120.3760	0.198	2	119.7435	0.564	153	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	119.8485	0.740	2	119.7435	0.564	153	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.5895	0.598	2	119.7435	0.564	153	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,3|C<3>}	119.3345	0.279	2	119.7435	0.564	153	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.6120	0.000	1	119.7435	0.564	153	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|O<1>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.7053	0.716	4	119.7435	0.564	153	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|Se<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.9095	0.616	2	119.7435	0.564	153	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	120.3275	0.687	2	119.7435	0.564	153	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	119.5620	0.894	2	119.7435	0.564	153	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,2|H<1>,2|P<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.5605	0.344	2	119.7435	0.564	153	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,2|H<1>,2|P<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.6535	0.875	28	119.7435	0.564	153	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.8865	0.078	2	119.7435	0.564	153	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	119.5560	0.648	2	119.7435	0.564	153	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	119.7365	0.210	2	119.7435	0.564	153	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	120.0940	0.617	8	119.7435	0.564	153	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.6325	0.822	10	119.7435	0.564	153	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	119.7400	0.594	4	119.7435	0.564	153	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.2870	0.058	2	119.7435	0.564	153	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.8150	1.133	4	119.7435	0.564	153	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	118.7030	0.000	1	119.4590	0.816	3	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	119.8370	0.880	2	119.4590	0.816	3	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,1|P<3>,1|S<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]S){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.4005	0.634	2	119.1846	0.519	12	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,1|P<4>,1|S<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]S){1|P<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.1480	1.187	4	119.1846	0.519	12	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,1|P<4>,1|S<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]S){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.1370	0.439	6	119.1846	0.519	12	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]S)(C[5]S[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,1|S<1>,1|S<2>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]S)(C[5]S[5]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.1760	0.113	2	119.3618	0.227	6	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]S)(C[5]S[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,1|S<1>,1|S<2>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]S)(C[5]S[5]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.5155	0.045	2	119.3618	0.227	6	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]S)(C[5]S[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,1|S<1>,1|S<2>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]S)(C[5]S[5]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.3940	1.001	2	119.3618	0.227	6	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]S)(C[5]S[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|S<2>,2|C<3>,2|H<1>,2|S<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]S)(C[5]S[5]S){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.0160	0.154	2	119.0160	0.024	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Al)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Al<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Al)(C[5]C[5]H){1|P<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.0602	0.447	4	119.0602	0.200	4	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]C)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]C)(C[5]N[5]H){1|Cd<6>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	119.6985	2.348	2	119.6985	5.515	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]C)(C[5]N[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]C)(C[5]N[5]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	118.8535	1.658	2	118.8535	2.750	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]C)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<1>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]N[5]C)(C[5]N[5]S){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	119.1595	0.252	2	119.1595	0.064	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]C)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<1>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]C)(C[5]N[5]S){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.4710	0.594	2	119.3489	0.130	26	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]C)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<1>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]C)(C[5]N[5]S){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	119.2725	0.346	4	119.3489	0.130	26	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]C)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<1>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]C)(C[5]N[5]S){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.3463	0.362	18	119.3489	0.130	26	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]C)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<1>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]N[5]C)(C[5]N[5]S){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.4030	0.486	2	119.3489	0.130	26	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]C)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]C)2{1|Zn<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	119.4835	1.606	4	119.2777	1.694	6	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]C)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]C)2{2|Fe<6>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	118.8660	0.472	2	119.2777	1.694	6	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Cu<2>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	119.7770	0.966	2	119.5627	0.381	4	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Cu<3>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	119.3485	0.161	2	119.5627	0.381	4	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Cu<3>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.3170	0.731	2	119.3170	0.535	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Fe<8>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.7340	0.557	2	119.7340	0.310	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]H)(C[5]N[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|N<2>,2|N<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]H)(C[5]N[5]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	118.9280	0.500	6	118.9280	0.250	6	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]H)2{1|Co<6>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	119.4700	0.433	2	119.3875	0.072	4	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]H)2{1|Ni<6>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	119.3050	0.014	2	119.3875	0.072	4	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]H)2{1|B<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	119.2090	0.974	2	119.5303	0.870	71	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.5630	0.451	2	119.5303	0.870	71	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	119.2375	0.407	2	119.5303	0.870	71	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.1645	0.277	8	119.5303	0.870	71	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]H)2{1|Fe<6>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.7220	0.295	11	119.5303	0.870	71	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]H)2{1|Mn<6>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	119.4840	0.171	2	119.5303	0.870	71	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]H)2{1|Ni<6>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	119.6745	0.421	2	119.5303	0.870	71	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]H)2{1|Zn<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.8954	1.258	24	119.5303	0.870	71	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]H)2{2|Fe<6>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.9337	0.714	12	119.5303	0.870	71	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]H)2{2|Fe<6>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.5600	1.150	6	119.5303	0.870	71	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Ir<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.6398	0.895	4	119.5469	2.816	12	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Ir<8>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.5485	3.042	4	119.5469	2.816	12	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Ir<8>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.4525	0.496	4	119.5469	2.816	12	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]N[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Ir<8>,1|C<3>,1|N<2>,2|H<1>,2|N<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]N[5]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.2530	0.367	6	119.2530	0.134	6	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Ni<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.6400	0.696	8	119.6818	0.610	14	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Ni<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.4125	0.503	2	119.6818	0.610	14	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Ni<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.9000	1.144	4	119.6818	0.610	14	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Os<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.1703	0.844	4	120.1703	0.712	4	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	119.9278	0.516	4	119.9278	0.266	4	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Pd<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	118.9800	1.879	2	119.5906	1.023	64	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	119.7635	0.492	4	119.5906	1.023	64	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.7255	2.000	2	119.5906	1.023	64	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	120.2070	2.333	2	119.5906	1.023	64	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.4172	1.067	10	119.5906	1.023	64	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	120.0215	1.172	2	119.5906	1.023	64	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.6005	0.970	36	119.5906	1.023	64	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.5148	0.872	6	119.5906	1.023	64	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Pd<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	118.5070	1.307	2	118.5070	1.708	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]N[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Pd<4>,1|C<3>,1|N<2>,2|H<1>,2|N<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]N[5]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.6795	0.579	2	119.6795	0.335	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Pt<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.3667	1.823	4	119.3667	3.322	4	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Re)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Re<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Re)(C[5]C[5]H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	119.3510	0.148	2	119.2248	0.727	20	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Re)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Re<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Re)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.2108	0.900	18	119.2248	0.727	20	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Rh<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.8618	0.349	4	119.8313	2.262	24	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Rh<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	119.9248	1.708	16	119.8313	2.262	24	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Rh<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.4273	1.538	4	119.8313	2.262	24	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]N[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Rh<4>,1|C<3>,1|N<2>,2|H<1>,2|N<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]N[5]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	118.9030	1.228	2	119.1450	0.792	4	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]N[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Rh<6>,1|C<3>,1|N<2>,2|H<1>,2|N<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]N[5]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.3870	0.798	2	119.1450	0.792	4	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Ru<9>,1|H<1>,1|N<3>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)(H){2|H<1>,5|C<3>}	119.2015	0.803	2	119.2015	0.644	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Ru<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.1608	1.780	6	119.2124	1.469	14	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Ru<9>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.2390	1.673	2	119.2124	1.469	14	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Ru<9>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.2550	0.296	6	119.2124	1.469	14	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]N[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Ru<5>,1|C<3>,1|N<2>,2|H<1>,2|N<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]N[5]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.5775	0.899	2	119.5465	3.442	6	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]N[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Ru<6>,1|C<3>,1|N<2>,2|H<1>,2|N<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]N[5]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.7495	4.026	2	119.5465	3.442	6	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]N[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Ru<9>,1|C<3>,1|N<2>,2|H<1>,2|N<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]N[5]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.3125	0.039	2	119.5465	3.442	6	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Se<2>,2|C<3>,2|H<1>,2|N<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	118.1960	0.074	2	118.1960	0.005	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])2(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Se<2>,2|C<3>,2|H<1>,2|N<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])2(H){2|H<1>,5|C<3>}	120.0190	0.008	2	120.0190	0.000	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Se<2>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	120.0715	1.165	2	120.0715	1.356	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]O[5]Mn)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Mn<6>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]O[5]Mn)(C[5]C[5]C){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.3130	0.631	2	119.3130	0.398	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]S[5]C)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|H<1>,2|S<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]S[5]C)2{2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.1305	0.291	2	119.1305	0.084	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]Ir)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(N[5]C[5]2){2|C<3>,2|H<1>,2|N<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Ir)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,3|C<3>}	126.0770	0.000	1	126.0770	0.000	1	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|Ir<6>,1|H<1>,3|C<3>}	123.6190	0.000	1	122.3615	3.163	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|Ir<6>,1|H<1>,3|C<3>}	121.1040	0.000	1	122.3615	3.163	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,3|C<3>}	122.4910	0.000	1	125.5984	7.725	14	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Ir<8>,1|H<1>,3|C<3>}	123.1805	0.350	2	125.5984	7.725	14	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Ir<8>,1|O<2>,3|C<3>}	121.9700	0.000	1	125.5984	7.725	14	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Ir<8>,4|C<3>}	123.6495	0.180	2	125.5984	7.725	14	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Ir<8>,1|H<1>,3|C<3>}	122.8830	0.000	1	125.5984	7.725	14	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(N[5]C[5]2){2|C<3>,2|H<1>,2|N<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,3|C<3>}	128.1963	0.768	7	125.5984	7.725	14	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])2(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(N[5]C[5]2){2|C<3>,2|H<1>,2|N<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])2(H){1|Ir<8>,1|N<3>,5|C<3>}	123.7530	0.000	1	123.7530	0.000	1	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.1175	0.616	4	119.1175	0.379	4	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){2|N<3>,3|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Pd<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])2(H){2|N<3>,5|C<3>}	118.8956	0.491	8	118.8956	0.242	8	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,1|P<4>,3|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	116.9677	0.463	4	116.9677	0.215	4	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Br)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Br<1>,1|Pd<4>,1|N<3>,2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Br)(H){1|Br<1>,1|N<3>,3|C<3>}	118.1220	0.366	2	118.1220	0.134	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Pd<4>,1|N<3>,3|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.6115	0.677	2	118.6115	0.458	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Ir)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Ir<8>,1|Pd<4>,1|N<3>,2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Ir)(H){2|N<3>,3|C<3>}	117.5160	0.000	1	117.5160	0.000	1	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Pd<4>,2|H<1>,2|N<3>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])2(H){1|Ir<8>,1|N<3>,5|C<3>}	118.2940	0.000	1	118.2940	0.000	1	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Pt<4>,2|H<1>,2|N<3>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])2(H){2|N<3>,5|C<3>}	118.8342	0.341	4	118.8342	0.117	4	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Rh<4>,1|N<3>,3|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.1110	0.000	1	118.1110	0.000	1	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Ru<9>,1|N<3>,3|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	117.6735	0.680	2	117.6735	0.462	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(N[5]C[5]2){2|C<3>,2|H<1>,2|N<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Ni<4>,1|H<1>,3|C<3>}	128.3295	0.107	2	128.3295	0.011	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Os<7>,1|H<1>,3|C<3>}	121.5970	0.000	1	125.6706	5.871	5	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]H)(N[5]C[5]2){2|C<3>,2|H<1>,2|N<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Os<6>,1|H<1>,3|C<3>}	126.6890	0.956	4	125.6706	5.871	5	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(N[5]C[5]2){1|S<2>,2|C<3>,2|H<1>,2|N<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	115.1065	0.146	2	115.1065	0.021	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(N[5]C[5]2){2|C<3>,2|H<1>,2|N<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	120.7570	0.000	1	120.7570	0.000	1	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(N[5]C[5]2){1|Se<2>,2|C<3>,2|H<1>,2|N<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	114.7410	0.000	1	114.7410	0.000	1	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Rh<8>,1|H<1>,3|C<3>}	123.2585	0.776	2	123.2585	0.602	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]S[5]Rh)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]S[5]Rh)(C[5]C[5]C){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Rh<8>,1|H<1>,3|C<3>}	125.4750	0.000	1	125.3765	0.019	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]S[5]Rh)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]S[5]Rh)(C[5]C[5]C){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Rh<9>,1|H<1>,3|C<3>}	125.2780	0.000	1	125.3765	0.019	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,1|N<3>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)(H){1|Ru<9>,1|H<1>,5|C<3>}	120.2100	0.000	1	120.2100	0.000	1	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|Ru<9>,3|C<3>}	123.3895	0.226	2	124.1350	3.034	23	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|Ru<9>,3|C<3>}	123.3425	0.313	2	124.1350	3.034	23	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Ru<9>,1|C<4>,3|C<3>}	123.3843	1.123	4	124.1350	3.034	23	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Ru<9>,1|F<1>,3|C<3>}	123.2130	0.000	1	124.1350	3.034	23	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Ru<9>,1|H<1>,3|C<3>}	123.1552	0.224	4	124.1350	3.034	23	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Ru<9>,1|N<3>,3|C<3>}	122.7330	0.000	1	124.1350	3.034	23	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Ru<9>,1|O<2>,3|C<3>}	123.6647	0.393	3	124.1350	3.034	23	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Ru<9>,1|H<1>,3|C<3>}	122.6030	0.000	1	124.1350	3.034	23	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(N[5]C[5]2){2|C<3>,2|H<1>,2|N<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	127.1882	0.602	5	124.1350	3.034	23	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ti)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ti)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Ti)(C[6a]C[6a]H)(N[5]C[5]2){2|C<3>,2|H<1>,2|N<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ti)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Ti<6>,1|H<1>,3|C<3>}	124.7070	0.089	2	124.7070	0.008	2	119.5965	2.533	1313	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Ir)(N[5]C[5]N[5])	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Ir)(N[5]C[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H){1|Ir<6>,1|N<3>,2|C<4>,4|C<3>}	119.9937	0.734	3	119.9937	0.539	3	120.2694	1.234	5	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Ir)(N[5]C[5]N[5])	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N[5])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Ir)(N[5]C[5]N[5]){1|O<2>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N[5])(H){1|Ir<6>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	120.6830	1.813	2	120.6830	3.287	2	120.2694	1.234	5	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Ir)(N[5]C[5]N[5])	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]Ir)(N[5]C[5]N[5]){3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H){1|Cl<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|Ir<6>,1|N<3>,2|C<3>}	125.2025	1.674	2	125.2025	2.801	2	125.2025	2.801	2	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)2(N[5]C[5]N[5])	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(N[5]C[5]N[5]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C){2|Cl<1>,1|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl){2|Cl<1>,1|N<3>,2|C<3>}	120.2325	0.366	2	120.2325	0.134	2	120.2325	0.134	2	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]N[5]2)	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]N[5]2){1|N<3>,3|C<3>,3|H<1>}	N[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){1|S<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	118.9445	1.169	2	118.9445	1.366	2	118.9445	1.366	2	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C[6a])(N[5]C[5,6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6,6a]H)(H)	C[6a](C[6a]C[6,6a]C[6a])(N[5]C[5,6a]C[5])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,1|H<1>,1|N<3>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6,6a]H)(H){1|C<4>,4|C<3>}	118.3410	0.000	1	118.3410	0.000	1	119.3417	0.769	3	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[5])(H)	C[6a](C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(C[6a]C[6a]H){1|Pd<4>,1|H<1>,1|N<3>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[5])(H){5|C<3>}	119.8420	0.188	2	119.8420	0.035	2	119.3417	0.769	3	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Pd)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Pd)(N[5]C[5]N[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]Pd){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	123.8310	0.000	1	123.8310	0.000	1	123.8310	0.000	1	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]Ir)(N[5]C[5]N[5])(C[6a]C[6a]F)	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F)	C[6a](C[6a]C[6a]Ir)(N[5]C[5]N[5])(C[6a]C[6a]F){3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H){1|F<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F){1|Ir<6>,1|F<1>,1|N<3>,2|C<3>}	123.7063	0.749	47	123.7063	0.560	47	123.7063	0.560	47	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ir)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]Ir)(N[5]C[5]N[5])(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	123.0565	0.091	2	123.0565	0.008	2	121.6699	1.269	119	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ir)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Ir)(N[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|F<1>,1|N<3>,2|C<3>}	122.6990	0.144	2	122.7058	0.182	10	121.6699	1.269	119	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ir)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Ir)(N[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	122.7075	0.481	8	122.7058	0.182	10	121.6699	1.269	119	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ir)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]Ir)(N[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	121.4415	1.168	4	121.4415	1.364	4	121.6699	1.269	119	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ir)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Ir)(N[5]C[5]N[5])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	121.3287	1.073	57	121.3358	1.061	63	121.6699	1.269	119	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ir)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Ir)(N[5]C[5]N[5])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|N<3>,1|S<6>,2|C<3>}	121.6150	0.037	2	121.3358	1.061	63	121.6699	1.269	119	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ir)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Ir)(N[5]C[5]N[5])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Ir<8>,1|C<4>,1|N<3>,2|C<3>}	121.0430	0.000	1	121.3358	1.061	63	121.6699	1.269	119	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ir)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Ir)(N[5]C[5]N[5])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Ir<8>,1|N<3>,1|O<2>,2|C<3>}	121.7750	0.273	2	121.3358	1.061	63	121.6699	1.269	119	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ir)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Ir)(N[5]C[5]N[5])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Ir<8>,1|N<3>,3|C<3>}	120.5990	0.000	1	121.3358	1.061	63	121.6699	1.269	119	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ir)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]Ir)(N[5]C[5]N[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	120.5810	0.000	1	120.9680	0.300	2	121.6699	1.269	119	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ir)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]Ir)(N[5]C[5]N[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	121.3550	0.000	1	120.9680	0.300	2	121.6699	1.269	119	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ir)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]S)(H)	C[6a](C[6a]C[6a]Ir)(N[5]C[5]N[5])(C[6a]C[6a]H){1|S<6>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]S)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	120.9870	0.482	2	120.9870	0.233	2	121.6699	1.269	119	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Pd)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(N[5]C[5]Pd)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Pd)(N[5]C[5]N[5])(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Pd)(C[5]C[5]C){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	123.7793	0.476	6	123.7793	0.227	6	121.6699	1.269	119	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Pd)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(N[5]C[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Pd)(N[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Pd)(C[5]C[5]H){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	122.6738	1.402	5	121.9624	1.096	17	121.6699	1.269	119	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Pd)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(N[5]C[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Pd)(N[5]C[5]N[5])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(N[5]C[5]Pd)(C[5]C[5]H){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	121.6660	0.744	12	121.9624	1.096	17	121.6699	1.269	119	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Rh)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(N[5]C[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Rh)(N[5]C[5]N[5])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(N[5]C[5]Rh)(C[5]C[5]H){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Rh<8>,1|C<4>,1|N<3>,2|C<3>}	121.3547	0.641	3	121.5557	0.253	6	121.6699	1.269	119	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Rh)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(N[5]C[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Rh)(N[5]C[5]N[5])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(N[5]C[5]Rh)(C[5]C[5]H){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Rh<8>,1|N<3>,1|O<2>,2|C<3>}	121.8820	0.324	2	121.5557	0.253	6	121.6699	1.269	119	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Rh)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(N[5]C[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Rh)(N[5]C[5]N[5])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(N[5]C[5]Rh)(C[5]C[5]H){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Rh<8>,2|C<3>,2|N<3>}	121.5060	0.000	1	121.5557	0.253	6	121.6699	1.269	119	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Rh)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(N[5]C[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]Rh)(N[5]C[5]N[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Rh)(C[5]C[5]H){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H){1|Rh<8>,1|H<1>,1|N<3>,2|C<3>}	120.8960	0.000	1	120.8960	0.000	1	121.6699	1.269	119	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Rh)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(N[5]C[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]Rh)(N[5]C[5]N[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Rh)(C[5]C[5]H){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H){1|Rh<8>,1|H<1>,1|N<3>,2|C<3>}	120.6230	0.000	1	120.6230	0.000	1	121.6699	1.269	119	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ru)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(N[5]C[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Ru)(N[5]C[5]N[5])(C[6a]C[6a]H){1|F<1>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ru)(C[5]C[5]H){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	120.3570	0.000	1	120.9640	0.415	5	121.6699	1.269	119	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ru)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(N[5]C[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Ru)(N[5]C[5]N[5])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ru)(C[5]C[5]H){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Ru<9>,1|F<1>,1|N<3>,2|C<3>}	122.0340	0.000	1	120.9640	0.415	5	121.6699	1.269	119	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ru)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(N[5]C[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Ru)(N[5]C[5]N[5])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ru)(C[5]C[5]H){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Ru<9>,1|N<3>,1|O<2>,2|C<3>}	120.7740	0.000	1	120.9640	0.415	5	121.6699	1.269	119	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ru)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(N[5]C[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Ru)(N[5]C[5]N[5])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ru)(C[5]C[5]H){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Ru<9>,1|N<3>,3|C<3>}	121.0180	0.000	1	120.9640	0.415	5	121.6699	1.269	119	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ru)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(N[5]C[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Ru)(N[5]C[5]N[5])(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ru)(C[5]C[5]H){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Ru<9>,2|C<3>,2|N<3>}	120.6370	0.000	1	120.9640	0.415	5	121.6699	1.269	119	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	B[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]B[5]C[5])(C[6a]C[6a]H)2	N[5](B[5]C[4,5]C[6a])(C[5]C[4,5]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]H)2{1|S<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](B[5]C[4,5]C[6a])(C[5]C[4,5]S)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	119.7725	1.033	2	119.8410	0.430	4	119.8410	0.430	4	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	B[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]B[5]C[5])(C[6a]C[6a]H)2	N[5](B[5]C[4,5]C[6a])(C[5]C[4,5]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]H)2{1|S<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](B[5]C[4,5]C[6a])(C[5]C[4,5]S)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|O<2>,2|C<3>}	119.9095	0.452	2	119.8410	0.430	4	119.8410	0.430	4	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	B[5]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]B[5]N[5])(C[6a]C[6a]H)2	N[5](B[5]C[6a]C[5])(N[5]C[6a]B[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]B[5]N[5])(C[6a]C[6a]H)2{1|B<3>,2|H<1>,4|C<3>}	N[5](B[5]C[6a]C[5])(N[5]C[6a]B[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|N<3>,2|H<1>}	120.8935	1.921	4	120.8935	3.692	4	120.8935	3.692	4	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]S[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|S<1>,1|S<2>,2|C<3>,2|H<1>}	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]S[5]S){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	120.8720	0.000	1	120.8720	0.000	1	120.8720	0.000	1	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]S[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|S<1>,1|S<2>,2|C<3>,2|H<1>}	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]S[5]S){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	119.8290	0.000	1	119.8290	0.000	1	119.8658	0.376	11	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,2|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.8055	0.653	2	119.8695	0.418	10	119.8658	0.376	11	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,2|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.3420	1.198	2	119.8695	0.418	10	119.8658	0.376	11	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	120.1882	0.552	4	119.8695	0.418	10	119.8658	0.376	11	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.8235	0.091	2	119.8695	0.418	10	119.8658	0.376	11	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]I)	N[5](C[5,5a]C[5,5a]S[5a])(C[6a]C[6a]2)(C[5]S[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]I){1|S<1>,2|C<3>,2|H<1>,2|S<2>}	N[5](C[5,5a]C[5,5a]S[5a])(C[6a]C[6a]2)(C[5]S[5]S){1|H<1>,1|I<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,3|C<3>}	118.4340	0.000	1	118.4340	0.000	1	118.8121	6.888	11	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5a]C[5])(C[6a]C[6a]H)2	N[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5a]C[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	N[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]O){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	118.1095	4.621	4	118.6625	13.546	6	118.8121	6.888	11	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5a]C[5])(C[6a]C[6a]H)2	N[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5a]C[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	N[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]O){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.7685	0.097	2	118.6625	13.546	6	118.8121	6.888	11	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5a]C[5])(C[6a]C[6a]H)2	N[5](C[5,5a]C[5,5a]S[5a])(C[6a]C[6a]2)(C[5]S[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5a]C[5])(C[6a]C[6a]H)2{1|S<1>,2|C<3>,2|H<1>,2|S<2>}	N[5](C[5,5a]C[5,5a]S[5a])(C[6a]C[6a]2)(C[5]S[5]S){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,3|C<3>}	119.3420	0.535	2	119.1310	0.157	4	118.8121	6.888	11	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5a]C[5])(C[6a]C[6a]H)2	N[5](C[5,5a]C[5,5a]S[5a])(C[6a]C[6a]2)(C[5]S[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5a]C[5])(C[6a]C[6a]H)2{1|S<1>,2|C<3>,2|H<1>,2|S<2>}	N[5](C[5,5a]C[5,5a]S[5a])(C[6a]C[6a]2)(C[5]S[5]S){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	118.9200	0.082	2	119.1310	0.157	4	118.8121	6.888	11	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:I-1:	C[6a](N[5]C[5,5a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]I)	N[5](C[5,5a]C[5,5a]S[5a])(C[6a]C[6a]2)(C[5]S[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(I)	C[6a](N[5]C[5,5a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]I){1|S<1>,2|C<3>,2|H<1>,2|S<2>}	N[5](C[5,5a]C[5,5a]S[5a])(C[6a]C[6a]2)(C[5]S[5]S){1|H<1>,1|I<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(I){2|H<1>,3|C<3>}	121.0960	0.000	1	121.0960	0.000	1	121.0960	0.000	1	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2	N[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|B<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	118.8755	0.497	4	118.8755	0.247	4	118.8755	0.247	4	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6,6]N[6])(C[5]C[5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|N<2>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6]C[5,6,6]N[6])(C[5]C[5,6]O)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.7302	0.443	6	119.7302	0.196	6	119.8146	0.335	36	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.4480	0.000	1	120.0879	0.297	19	119.8146	0.335	36	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	N[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.1783	0.500	14	120.0879	0.297	19	119.8146	0.335	36	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	N[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	120.1870	0.765	2	120.0879	0.297	19	119.8146	0.335	36	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	N[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.6765	0.787	2	120.0879	0.297	19	119.8146	0.335	36	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	120.2830	0.000	1	120.2830	0.000	1	119.8146	0.335	36	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[5]C[5,6]O)(C[6a]C[6a]2){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	119.5380	0.134	2	119.5380	0.018	2	119.8146	0.335	36	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|B<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	118.9820	0.373	2	119.2394	0.131	8	119.8146	0.335	36	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|B<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.3252	0.347	6	119.2394	0.131	8	119.8146	0.335	36	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.5545	0.257	2	119.3776	0.339	8	119.3776	0.339	8	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.2225	0.101	2	119.3776	0.339	8	119.3776	0.339	8	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.3667	0.854	4	119.3776	0.339	8	119.3776	0.339	8	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]O[6])(C[6a]C[6a]2)(N[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	N[5](C[5,6]C[5,6]O[6])(C[6a]C[6a]2)(N[5]C[5]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.8090	1.954	2	119.8090	3.820	2	119.8090	3.820	2	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:As[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]As[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5a,6a]C[5,6a])(As[5]N[5]Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]As[5])(C[6a]C[6a]H)2{1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5a,6a]C[5,6a])(As[5]N[5]Cl)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|As<3>,1|H<1>,1|O<2>,2|C<3>}	120.1405	0.772	4	120.1405	0.596	4	119.9958	0.351	8	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:As[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]As[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5a,6a]C[5,6a])(As[5]N[5]Pt)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]As[5])(C[6a]C[6a]H)2{1|Pt<3>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5a,6a]C[5,6a])(As[5]N[5]Pt)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|As<3>,1|H<1>,1|O<2>,2|C<3>}	119.8510	0.408	4	119.8510	0.167	4	119.9958	0.351	8	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:B[5,5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]B[5,5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,5]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]B[5,5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,5]C[5])(C[6a]C[6a]2){2|Si<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,2|H<1>}	120.1005	0.169	2	120.1005	0.029	2	120.1005	0.029	2	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]N[5,5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]N[5,5])(C[6a]C[6a]2){1|B<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.0035	0.228	4	119.7283	0.362	8	119.7283	0.362	8	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]N[5,5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]N[5,5])(C[6a]C[6a]2){1|B<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.4530	0.769	4	119.7283	0.362	8	119.7283	0.362	8	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]N[5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]N[5,6])(C[6a]C[6a]2){1|B<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.1925	0.781	2	119.1925	0.611	2	119.1925	0.611	2	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|Cl<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	121.4080	0.000	1	121.4080	0.000	1	121.4080	0.000	1	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|Cl<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	119.3420	0.000	1	119.3420	0.000	1	119.3559	0.800	126	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]I)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]I){1|O<1>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|I<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,3|C<3>}	118.4470	0.000	1	118.4470	0.000	1	119.3559	0.800	126	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	119.9670	0.880	2	119.9670	0.774	2	119.3559	0.800	126	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.3035	1.108	2	120.3035	1.228	2	119.3559	0.800	126	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(C[6a]C[6a]2){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	120.1590	0.737	2	120.1590	0.543	2	119.3559	0.800	126	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.4220	0.328	2	119.9559	0.261	8	119.3559	0.800	126	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.1338	0.438	6	119.9559	0.261	8	119.3559	0.800	126	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2){1|Cu<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.3790	0.761	2	119.2270	0.940	12	119.3559	0.800	126	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2){1|Ir<6>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	118.8670	1.626	2	119.2270	0.940	12	119.3559	0.800	126	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2){1|Ir<6>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.6975	0.449	2	119.2270	0.940	12	119.3559	0.800	126	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2){1|Pd<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.2370	0.355	2	119.2270	0.940	12	119.3559	0.800	126	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(C[6a]C[6a]2){1|Zn<5>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.0907	1.410	4	119.2270	0.940	12	119.3559	0.800	126	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Cu<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.3415	1.080	4	119.2924	0.849	74	119.3559	0.800	126	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Ir<6>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.3728	1.119	30	119.2924	0.849	74	119.3559	0.800	126	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Pt<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.8365	1.463	4	119.2924	0.849	74	119.3559	0.800	126	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Pt<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.2097	0.650	18	119.2924	0.849	74	119.3559	0.800	126	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Re<6>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.2425	0.687	4	119.2924	0.849	74	119.3559	0.800	126	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Ru<6>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.4945	0.490	2	119.2924	0.849	74	119.3559	0.800	126	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.0004	0.624	12	119.2924	0.849	74	119.3559	0.800	126	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6]N[5])(C[6a]C[6a]2){1|Ir<6>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.0265	0.438	4	119.0265	0.192	4	119.3559	0.800	126	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Ir<6>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.3043	0.864	20	119.3043	0.747	20	119.3559	0.800	126	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:I-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]I)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(I)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]I){1|O<1>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|I<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(I){2|H<1>,3|C<3>}	120.2430	0.000	1	120.2430	0.000	1	120.2430	0.000	1	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]Cl)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]Cl)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){2|Cl<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	120.9170	1.148	2	121.0605	0.290	6	121.0605	0.290	6	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]Cl)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]Cl)2{1|O<1>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){2|Cl<1>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	121.1322	0.150	4	121.0605	0.290	6	121.0605	0.290	6	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Fe)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Fe<4>,1|N<3>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Fe){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	119.3448	0.771	9	119.4844	0.754	12	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Fe)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Fe<8>,1|N<3>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Fe){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	119.9033	1.191	3	119.4844	0.754	12	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Pd<7>,1|H<1>,1|N<3>,1|O<2>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	116.0590	0.000	1	116.0590	0.000	1	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Rh)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Rh<6>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Rh){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	117.7950	0.502	2	117.7950	0.252	2	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]N[5]Rh)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Rh<6>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]N[5]Rh){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	118.9300	0.330	2	118.9300	0.109	2	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ir<8>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	120.4013	0.426	3	120.4013	0.182	3	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pt)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Pt<4>,1|N<3>,2|C<4>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pt){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	118.5270	1.078	2	118.5270	1.161	2	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Se)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|Se<1>,1|H<1>,1|N<3>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Se){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	120.1830	0.000	1	120.1830	0.000	1	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	119.2080	0.178	2	119.2080	0.032	2	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|C<2>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.3953	0.589	4	119.6503	0.571	49	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.3985	0.233	2	119.6503	0.571	49	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	120.0673	0.920	4	119.6503	0.571	49	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.4930	0.546	2	119.6503	0.571	49	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.0350	0.337	2	119.6503	0.571	49	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.6395	0.629	2	119.6503	0.571	49	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.2805	0.858	2	119.6503	0.571	49	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.6298	0.984	18	119.6503	0.571	49	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.7915	0.176	2	119.6503	0.571	49	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.4065	0.331	6	119.6503	0.571	49	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	120.1370	0.000	1	119.6503	0.571	49	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.4562	0.853	4	119.6503	0.571	49	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]C){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.4725	1.262	2	119.4725	1.593	2	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.5245	0.507	2	119.6338	0.285	10	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.8705	0.434	6	119.6338	0.285	10	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.0330	0.532	2	119.6338	0.285	10	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|Ir<6>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.2820	0.455	2	119.2820	0.207	2	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|Pd<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	119.5565	0.399	4	119.4931	0.512	16	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|Pd<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.8380	0.583	2	119.4931	0.512	16	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|Pd<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.0385	0.869	2	119.4931	0.512	16	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|Pd<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.2387	0.823	8	119.4931	0.512	16	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Rh)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|Rh<6>,1|H<1>,2|N<3>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Rh){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	118.9260	0.086	2	119.0657	1.142	4	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Rh)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|Rh<6>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Rh){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.2055	1.828	2	119.0657	1.142	4	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Rh)	C[6a](C[6a]C[6a]N[5])2(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|Rh<6>,1|H<1>,2|N<3>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Rh){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])2(H){2|H<1>,5|C<3>}	119.9550	0.567	2	119.9550	0.322	2	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Se)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|Se<1>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Se){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.1295	0.196	2	119.3045	0.363	6	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Se)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|Se<1>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Se){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.3920	0.749	4	119.3045	0.363	6	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|N<2>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.6733	0.528	10	119.6733	0.278	10	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(C[5]S[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|N<2>,1|S<1>,1|S<2>,2|C<3>,2|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(C[5]S[5]S){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.3575	0.783	8	119.3575	0.612	8	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	N[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.1130	0.315	2	119.1130	0.099	2	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.6105	1.147	4	119.6105	1.316	4	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|Ir<6>,1|H<1>,3|C<3>}	124.0230	0.249	2	126.1190	5.909	4	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|C<4>,2|N<3>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|Ir<5>,1|H<1>,3|C<3>}	128.2150	0.305	2	126.1190	5.909	4	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|H<1>,2|N<3>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Ir<5>,1|H<1>,3|C<3>}	128.8170	0.276	2	125.0296	7.157	27	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|H<1>,2|N<3>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Ir<5>,1|H<1>,3|C<3>}	128.5925	0.349	4	125.0296	7.157	27	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|H<1>,2|N<3>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,3|C<3>}	128.0060	0.332	4	125.0296	7.157	27	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|C<4>,3|C<3>}	122.7270	0.000	1	125.0296	7.157	27	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,3|C<3>}	123.0652	0.474	16	125.0296	7.157	27	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]N[5])(C[6a]C[6a]H){1|Pd<4>,1|N<3>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.7025	0.086	2	119.7025	0.007	2	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]Ni)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ni)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]Ni)(C[6a]C[6a]H){1|H<1>,2|N<3>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ni){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Ni<4>,1|H<1>,3|C<3>}	128.3695	0.159	2	128.7420	0.206	4	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]Ni)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ni)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]Ni)(C[6a]C[6a]H){1|H<1>,2|N<3>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ni){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Ni<6>,1|H<1>,3|C<3>}	129.1145	0.194	2	128.7420	0.206	4	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]Os)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Os)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]Os)(C[6a]C[6a]H){1|H<1>,2|N<3>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Os){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Os<6>,1|H<1>,3|C<3>}	127.6675	0.112	2	123.9144	6.726	14	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]Os)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Os)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]Os)(C[6a]C[6a]H){1|H<1>,2|N<3>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Os){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Os<7>,1|H<1>,3|C<3>}	126.9655	0.593	2	123.9144	6.726	14	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]Os)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Os)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]Os)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Os){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Os<6>,1|H<1>,3|C<3>}	121.9918	1.778	6	123.9144	6.726	14	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]Os)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Os)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]Os)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Os){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Os<7>,1|H<1>,3|C<3>}	123.6543	0.457	3	123.9144	6.726	14	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]Os)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Os)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]Os)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Os){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Os<8>,1|H<1>,3|C<3>}	122.6220	0.000	1	123.9144	6.726	14	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]Ru)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ru)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]Ru)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ru){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Ru<9>,1|C<4>,3|C<3>}	125.5307	0.438	3	125.0710	0.973	4	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]Ru)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ru)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]Ru)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ru){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Ru<9>,1|H<1>,3|C<3>}	123.6920	0.000	1	125.0710	0.973	4	121.0194	8.645	195	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]P[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(P[5]N[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]P[5])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,2|N<3>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(P[5]N[5]N){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<3>,2|C<3>}	119.8740	0.000	1	119.8740	0.000	1	120.0243	0.511	9	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]P[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]2)(P[5]N[5]Cl)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]P[5])(C[6a]C[6a]H)2{1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]2)(P[5]N[5]Cl){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|P<3>,2|C<3>}	120.2498	0.475	4	120.2498	0.225	4	120.0243	0.511	9	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]P[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]2)(P[5]N[5]Pt)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]P[5])(C[6a]C[6a]H)2{1|Pt<3>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]2)(P[5]N[5]Pt){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|P<3>,2|C<3>}	119.8365	1.008	4	119.8365	1.016	4	120.0243	0.511	9	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[3,5]O)(C[6a]C[6a]2)(N[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[3,5]O)(C[6a]C[6a]2)(N[5]C[5]H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	120.1590	0.454	2	120.1590	0.206	2	119.3466	1.211	16	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]C){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.9180	0.195	2	119.9180	0.038	2	119.3466	1.211	16	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	120.1525	1.197	2	120.1525	1.433	2	119.3466	1.211	16	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(N[5]C[5]H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.8415	0.862	2	119.8415	0.743	2	119.3466	1.211	16	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cu<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu){1|Cu<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	118.7950	2.188	2	118.8402	1.661	4	119.3466	1.211	16	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cu<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu){1|Cu<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.8855	0.433	2	118.8402	1.661	4	119.3466	1.211	16	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pd<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.8365	1.186	2	118.8365	1.406	2	119.3466	1.211	16	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.1845	1.159	2	118.1845	1.343	2	119.3466	1.211	16	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[3x5,6]O)(N[5]C[5,5,6]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[3x5,6]O)(N[5]C[5,5,6]C)(C[6a]C[6a]2){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	120.3145	0.801	2	120.3145	0.642	2	120.3145	0.642	2	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:B[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]B[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(B[5]N[5]O)(N[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]B[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(B[5]N[5]O)(N[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|N<3>,2|H<1>}	119.5780	1.280	2	119.5780	1.638	2	119.5780	1.638	2	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](C[6a]C[6a]2)(C[5]C[5]P)(N[5]N[5]W)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<2>,1|P<3>,1|W<6>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]P)(N[5]N[5]W){1|H<1>,1|P<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	118.0000	0.000	1	117.6815	0.203	2	119.3973	1.063	70	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](C[6a]C[6a]2)(C[5]C[5]P)(N[5]N[5]W)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<2>,1|P<4>,1|W<6>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]P)(N[5]N[5]W){1|H<1>,1|P<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	117.3630	0.000	1	117.6815	0.203	2	119.3973	1.063	70	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.4735	0.857	4	119.4735	0.735	4	119.3973	1.063	70	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.8420	1.001	2	118.8420	1.003	2	119.3973	1.063	70	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.8805	0.699	2	119.5165	0.854	4	119.3973	1.063	70	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	120.1525	0.674	2	119.5165	0.854	4	119.3973	1.063	70	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]O){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.8245	1.089	4	119.8245	1.187	4	119.3973	1.063	70	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	118.9580	0.000	1	118.9580	0.000	1	119.3973	1.063	70	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.5580	0.000	1	118.5580	0.000	1	119.3973	1.063	70	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.4985	0.121	2	119.2447	1.258	26	119.3973	1.063	70	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.3871	1.329	16	119.2447	1.258	26	119.3973	1.063	70	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.6645	0.187	2	119.2447	1.258	26	119.3973	1.063	70	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.9738	0.815	6	119.2447	1.258	26	119.3973	1.063	70	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	120.2975	1.822	2	119.9901	0.583	16	119.3973	1.063	70	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.9395	0.798	2	119.9901	0.583	16	119.3973	1.063	70	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	120.1151	0.514	10	119.9901	0.583	16	119.3973	1.063	70	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	119.1080	0.707	2	119.9901	0.583	16	119.3973	1.063	70	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(N[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.1929	1.057	8	119.1929	1.117	8	119.3973	1.063	70	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.1230	0.938	2	119.1230	0.879	2	119.3973	1.063	70	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(N[5]C[5]Co)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Co<4>,3|H<1>,5|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Co)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.2650	0.266	2	118.2650	0.071	2	117.7633	1.874	97	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(N[5]C[5]Co)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Co<9>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(N[5]C[5]Co)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,3|C<3>}	115.8230	0.000	1	115.8230	0.000	1	117.7633	1.874	97	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(N[5]C[5]Cu)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Cu<4>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(N[5]C[5]Cu)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	118.3623	0.575	4	118.3623	0.331	4	117.7633	1.874	97	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Ir<8>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	115.7540	0.238	2	115.7540	0.056	2	117.7633	1.874	97	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(N[5]C[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Rh<8>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(N[5]C[5]Rh)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	116.0430	0.387	2	116.0430	0.150	2	117.7633	1.874	97	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(N[5]C[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Ru<9>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ru)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	116.7310	0.000	1	116.7310	0.000	1	117.7633	1.874	97	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[6a]C[6a]2)(N[5]C[5]Al)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Al<4>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(N[5]C[5]Al)(C[5]C[5]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	116.3910	0.000	1	116.3910	0.000	1	117.7633	1.874	97	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[6a]C[6a]2)(N[5]C[5]Ni)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Ni<6>,1|C<2>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ni)(C[5]C[5]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,2|N<3>}	116.5408	0.295	4	117.2178	0.390	12	117.7633	1.874	97	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[6a]C[6a]2)(N[5]C[5]Ni)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Ni<6>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ni)(C[5]C[5]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,2|N<3>}	117.5564	0.427	8	117.2178	0.390	12	117.7633	1.874	97	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[6a]C[6a]2)(N[5]C[5]Ni)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Ni<6>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ni)(C[5]C[5]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	116.5955	0.574	8	116.5955	0.330	8	117.7633	1.874	97	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[6a]C[6a]2)(N[5]C[5]Re)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Re<6>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Re)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,2|N<3>}	118.3190	0.000	1	117.3834	2.025	9	117.7633	1.874	97	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[6a]C[6a]2)(N[5]C[5]Re)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Re<6>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Re)(C[5]C[5]H){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|N<4>,2|C<3>}	117.2897	1.312	3	117.3834	2.025	9	117.7633	1.874	97	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[6a]C[6a]2)(N[5]C[5]Re)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Re<6>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Re)(C[5]C[5]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,2|N<3>}	116.1770	1.277	2	117.3834	2.025	9	117.7633	1.874	97	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[6a]C[6a]2)(N[5]C[5]Re)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Re<6>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Re)(C[5]C[5]H){1|N<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|N<4>,2|C<3>}	117.9697	1.772	3	117.3834	2.025	9	117.7633	1.874	97	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[6a]C[6a]2)(N[5]C[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Rh<6>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Rh)(C[5]C[5]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,2|N<3>}	117.0826	0.512	16	117.0826	0.263	16	117.7633	1.874	97	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[6a]C[6a]2)(N[5]C[5]Zn)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Zn<4>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Zn)(C[5]C[5]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	119.1840	0.757	2	119.1840	0.572	2	117.7633	1.874	97	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[6a]C[6a]2)(N[5]C[5]Cu)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cu<5>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Cu)(C[5]C[5]H){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|N<3>}	117.8210	0.000	1	117.8210	0.000	1	117.7633	1.874	97	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[6a]C[6a]2)(N[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ru<9>,1|N<2>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(N[5]N[5]Ru)(C[5]C[5]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	117.6645	0.323	2	117.6645	0.104	2	117.7633	1.874	97	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](C[6a]C[6a]2)(N[5]C[5]Cu)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Cu<4>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(N[5]C[5]Cu)(C[5]C[5]H){1|P<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	116.2053	1.230	4	116.2053	1.513	4	117.7633	1.874	97	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Ir<4>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H){1|P<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	117.1760	0.000	1	117.0475	0.033	2	117.7633	1.874	97	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Ir<6>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H){1|P<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	116.9190	0.000	1	117.0475	0.033	2	117.7633	1.874	97	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](C[6a]C[6a]2)(N[5]C[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Rh<4>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(N[5]C[5]Rh)(C[5]C[5]H){1|P<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	117.6300	0.000	1	117.6300	0.000	1	117.7633	1.874	97	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](C[6a]C[6a]2)(N[5]N[5]Ru)(C[5]C[5]P)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Ru<9>,1|N<2>,1|P<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(N[5]N[5]Ru)(C[5]C[5]P){1|H<1>,1|P<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	118.3350	0.000	1	118.3350	0.000	1	117.7633	1.874	97	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(N[5]C[5]Cu)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cu<4>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(N[5]C[5]Cu)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	119.5765	0.678	8	119.4453	0.451	10	117.7633	1.874	97	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(N[5]C[5]Cu)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cu<4>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(N[5]C[5]Cu)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.9205	0.390	2	119.4453	0.451	10	117.7633	1.874	97	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]F)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ir<6>,1|H<1>,2|F<1>,3|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]F)(H){1|N<3>,2|C<3>,2|H<1>}	118.8325	1.068	2	118.8325	1.142	2	117.7633	1.874	97	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ir<6>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.7880	0.195	2	118.7880	0.038	2	117.7633	1.874	97	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(N[5]C[5]Pd)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Pd)(C[5]C[5]C){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.9790	0.354	2	119.7299	0.629	8	117.7633	1.874	97	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(N[5]C[5]Pd)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Pd)(C[5]C[5]C){1|C<4>,1|I<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.6535	1.490	2	119.7299	0.629	8	117.7633	1.874	97	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(N[5]C[5]Pd)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Pd)(C[5]C[5]C){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.3915	0.255	2	119.7299	0.629	8	117.7633	1.874	97	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(N[5]C[5]Pd)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Pd)(C[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.8955	1.254	2	119.7299	0.629	8	117.7633	1.874	97	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(N[5]C[5]Pd)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Pd)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.7285	1.227	2	119.7285	1.505	2	117.7633	1.874	97	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(N[5]C[5]Zn)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Zn<5>,2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Zn)(C[5]C[5]H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	119.2360	0.000	1	119.2360	0.000	1	117.7633	1.874	97	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(N[5]C[5]Zn)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Zn<5>,2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Zn)(C[5]C[5]H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.7510	0.000	1	118.7510	0.000	1	117.7633	1.874	97	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]N[5,6]N[5])(C[6a]C[6a]H)2	N[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]N[5,6]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]N[5]C){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	119.6470	2.099	2	119.6470	4.405	2	119.6470	4.405	2	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.5385	0.813	4	119.3582	0.415	10	119.2134	0.510	12	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|Fe<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.3215	0.569	4	119.3582	0.415	10	119.2134	0.510	12	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|Fe<5>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.0710	0.693	2	119.3582	0.415	10	119.2134	0.510	12	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.4895	0.786	2	118.4895	0.617	2	119.2134	0.510	12	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	S[5,5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]S[5,5]C[5])(C[6a]C[6a]H)2	N[5](S[5,5]C[5,5]N[5])(C[6a]C[6a]2)(C[5]N[5]Se)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]S[5,5]C[5])(C[6a]C[6a]H)2{1|Se<1>,2|C<3>,2|H<1>,2|N<3>}	N[5](S[5,5]C[5,5]N[5])(C[6a]C[6a]2)(C[5]N[5]Se){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|S<3>,2|C<3>,2|H<1>}	119.6933	0.894	8	119.6933	0.800	8	119.6933	0.800	8	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	Se[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]H)2	N[5](Se[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]H)2{1|H<1>,1|O<1>,1|O<2>,4|C<3>}	N[5](Se[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Se<3>,2|C<3>,2|H<1>}	120.1930	0.000	1	120.1327	0.292	3	120.5558	0.910	4	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	Se[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]H)2	N[5](Se[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	N[5](Se[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Se<3>,2|C<3>,2|H<1>}	120.1025	0.760	2	120.1327	0.292	3	120.5558	0.910	4	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	Se[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]H)2	N[5](Se[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H)	C[6a](N[5]Se[5]C[5])(C[6a]C[6a]H)2{1|H<1>,1|O<1>,1|O<2>,4|C<3>}	N[5](Se[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H){1|Se<3>,2|C<3>,2|H<1>}	121.8250	0.000	1	121.8250	0.000	1	120.5558	0.910	4	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a]Mn)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Mn)(C[5]C[5]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[6a]C[6a]Mn)(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]N[5]Mn)(C[5]C[5]H){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|Mn<6>,1|H<1>,3|C<3>}	121.8390	0.000	1	121.8390	0.000	1	121.8390	0.000	1	119.7534	2.879	3195	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[4,5]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[4,5]O)2(C[6a]C[6a]2){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	113.7062	0.451	6	113.8485	0.215	8	118.5802	4.241	58	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[4,5]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[4,5]O)2(C[6a]C[6a]2){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	114.2755	0.021	2	113.8485	0.215	8	118.5802	4.241	58	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<2>,1|C<3>,1|H<1>,2|C<4>,2|O<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	119.2990	0.000	1	118.9690	1.174	5	118.5802	4.241	58	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	119.6050	0.000	1	118.9690	1.174	5	118.5802	4.241	58	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|Cl<1>,1|H<1>,3|C<3>}	117.9360	0.000	1	118.9690	1.174	5	118.5802	4.241	58	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	119.0025	1.764	2	118.9690	1.174	5	118.5802	4.241	58	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6]){2|H<1>,3|C<3>}	119.9810	0.000	1	119.9810	0.000	1	118.5802	4.241	58	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	119.4124	0.683	5	119.4124	0.466	5	118.5802	4.241	58	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>,2|O<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	119.1595	0.067	2	119.1595	0.005	2	118.5802	4.241	58	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	118.6842	0.576	8	118.6842	0.332	8	118.5802	4.241	58	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	119.8890	0.000	1	119.8890	0.000	1	118.5802	4.241	58	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<2>,1|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	117.6080	0.000	1	119.1505	1.525	4	118.5802	4.241	58	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Cl<1>,1|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	118.7740	0.000	1	119.1505	1.525	4	118.5802	4.241	58	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	120.1100	0.460	2	119.1505	1.525	4	118.5802	4.241	58	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	119.4690	0.000	1	119.4382	0.164	8	118.5802	4.241	58	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH){1|F<1>,1|H<1>,3|C<3>}	119.2250	0.000	1	119.4382	0.164	8	118.5802	4.241	58	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	119.7350	0.000	1	119.4382	0.164	8	118.5802	4.241	58	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	119.4154	0.503	5	119.4382	0.164	8	118.5802	4.241	58	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)2(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	119.4387	0.765	8	119.4387	0.585	8	118.5802	4.241	58	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)2(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]O)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a]){1|H<1>,1|O<2>,3|C<3>}	120.3272	1.003	4	120.3272	1.005	4	118.5802	4.241	58	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)2(N[5]C[5]2)	N[5](C[5]N[5,6]Cu)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(N[5]C[5]2){1|Cu<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]N[5,6]Cu)(C[5]C[5,6]H)(C[6a]C[6a]2){1|C<4>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	119.5910	0.677	4	119.5910	0.459	4	118.5802	4.241	58	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[5]C[5]2)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(SC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){1|S<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(SC){2|H<1>,3|C<3>}	119.6997	0.400	3	119.6997	0.160	3	119.5367	0.103	6	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(SC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|H<1>,1|S<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(SC){2|H<1>,3|C<3>}	119.2740	0.000	1	119.2740	0.000	1	119.5367	0.103	6	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-2:	C[6a](C[6a]C[6a]S)2(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(SC[6a])	C[6a](C[6a]C[6a]S)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>,2|S<2>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(SC[6a]){1|H<1>,1|S<2>,3|C<3>}	119.4235	0.145	2	119.4235	0.021	2	119.5367	0.103	6	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]N){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	118.6520	0.390	2	118.6520	0.152	2	118.7878	0.205	4	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Pd<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Pd){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	119.3650	0.000	1	119.3650	0.000	1	118.7878	0.205	4	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|N<2>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]S){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	118.4820	0.000	1	118.4820	0.000	1	118.7878	0.205	4	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5a,6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5])(NN)	C[6a](C[6a]C[5a,6a]N)(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5])(NN){2|H<1>,2|N<2>,3|C<3>}	117.9100	0.000	1	117.9100	0.000	1	117.9100	0.000	1	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CN){2|H<1>,3|C<3>}	119.4350	0.631	2	119.4350	0.398	2	119.6970	0.240	7	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Pd<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CN){2|H<1>,3|C<3>}	119.5340	0.000	1	119.5340	0.000	1	119.6970	0.240	7	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Pt<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CN){2|H<1>,3|C<3>}	119.7535	0.521	2	119.6747	0.154	3	119.6970	0.240	7	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Pt<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CN){2|H<1>,3|C<3>}	119.5170	0.000	1	119.6747	0.154	3	119.6970	0.240	7	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Rh<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CN){2|H<1>,3|C<3>}	120.4510	0.000	1	120.4510	0.000	1	119.6970	0.240	7	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a])	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]N)(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]){1|Ir<8>,1|H<1>,3|C<3>}	123.8010	0.000	1	123.8010	0.000	1	123.8010	0.000	1	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	117.9390	0.000	1	117.9390	0.000	1	119.1993	1.513	56	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]S[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]S[5]N){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	119.4960	0.000	1	119.4960	0.000	1	119.1993	1.513	56	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OCu)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Cu<5>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OCu){2|H<1>,3|C<3>}	117.9897	0.432	3	117.9897	0.187	3	119.1993	1.513	56	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	118.0200	0.000	1	118.1160	0.018	2	119.1993	1.513	56	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Cu<4>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	118.2120	0.000	1	118.1160	0.018	2	119.1993	1.513	56	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	119.6950	0.000	1	119.6950	0.000	1	119.1993	1.513	56	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|N<3>,1|P<4>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|Os<5>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	116.2750	0.000	1	116.2750	0.000	1	119.1993	1.513	56	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	120.0990	0.000	1	120.0990	0.000	1	119.1993	1.513	56	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	119.9260	0.000	1	119.9260	0.000	1	119.1993	1.513	56	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OPd)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]Pd)(C[5]N[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OPd){2|H<1>,3|C<3>}	120.0880	0.086	2	120.0880	0.007	2	119.1993	1.513	56	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]C)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<1>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]C)(C[5]N[5]S){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	119.0520	0.395	3	119.0520	0.156	3	119.1993	1.513	56	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]H)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]H)2{1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	118.8890	0.000	1	118.8890	0.000	1	119.1993	1.513	56	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OMn)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Mn<5>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OMn){2|H<1>,3|C<3>}	120.3055	0.702	2	120.3055	0.493	2	119.1993	1.513	56	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(ONi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(ONi){2|H<1>,3|C<3>}	118.1463	0.444	3	118.1463	0.197	3	119.1993	1.513	56	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Os<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H){1|Os<5>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	119.6560	0.000	1	119.6560	0.000	1	119.1993	1.513	56	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Pd<5>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]C){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	117.7145	0.180	2	117.7145	0.033	2	119.1993	1.513	56	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]C){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	120.4465	1.471	2	120.8313	1.527	3	119.1993	1.513	56	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Pd<5>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]C){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	121.6010	0.000	1	120.8313	1.527	3	119.1993	1.513	56	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OPd)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OPd){2|H<1>,3|C<3>}	119.1460	0.596	6	119.2946	0.519	12	119.1993	1.513	56	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OPd)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OPd){2|H<1>,3|C<3>}	119.6270	0.949	4	119.2946	0.519	12	119.1993	1.513	56	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OPd)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Pd<5>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OPd){2|H<1>,3|C<3>}	119.0755	0.747	2	119.2946	0.519	12	119.1993	1.513	56	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OPd)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OPd){2|H<1>,3|C<3>}	118.7757	0.494	6	118.7757	0.244	6	119.1993	1.513	56	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OPt)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OPt){2|H<1>,3|C<3>}	120.3165	0.811	2	120.3165	0.658	2	119.1993	1.513	56	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OPt)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Pt<4>,1|F<1>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OPt){2|H<1>,3|C<3>}	120.7840	1.112	2	120.7840	1.236	2	119.1993	1.513	56	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(ORu)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(ORu){2|H<1>,3|C<3>}	118.0390	0.415	3	118.0390	0.172	3	119.1993	1.513	56	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Se<2>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]O){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	118.7190	0.000	1	118.7190	0.000	1	119.1993	1.513	56	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]O)(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|Ir<6>,1|O<2>,3|C<3>}	123.3000	0.000	1	123.3000	0.000	1	119.1993	1.513	56	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(N[5]C[5]2){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<3>,1|N<2>,1|O<2>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	120.1540	0.000	1	120.1540	0.000	1	119.1993	1.513	56	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]N[5])(N[5]C[5]N[5])(C[6a]C[6a]O)	N[5](C[6a]C[6a]2)(N[5]C[5]Pd)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]N[5])(N[5]C[5]N[5])(C[6a]C[6a]O){1|Pd<4>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Pd)(C[5]C[5]C){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>,2|N<3>}	121.0470	0.000	1	121.0470	0.000	1	121.0470	0.000	1	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OIr)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ir<8>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OIr){2|H<1>,3|C<3>}	118.2580	0.212	3	118.2580	0.045	3	118.6196	0.464	5	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pt)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OH)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Pt<4>,1|N<3>,2|C<4>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pt){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	119.7880	0.000	1	119.7880	0.000	1	118.6196	0.464	5	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pt)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OPt)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Pt<4>,1|N<3>,2|C<4>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pt){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OPt){2|H<1>,3|C<3>}	118.5360	0.000	1	118.5360	0.000	1	118.6196	0.464	5	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[6a]C[6a]2)(N[5]C[5]Cu)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OCu)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cu<5>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Cu)(C[5]C[5]H){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OCu){1|H<1>,2|C<3>,2|N<3>}	120.1340	0.000	1	120.1340	0.000	1	120.1483	0.440	3	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[6a]C[6a]2)(N[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(ORu)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ru<9>,1|N<2>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(N[5]N[5]Ru)(C[5]C[5]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(ORu){1|N<3>,2|C<3>,2|H<1>}	120.1555	0.938	2	120.1555	0.880	2	120.1483	0.440	3	119.0096	2.703	142	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(C[6a]C[6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]N[5]Pd)	C[6a](C[6a]C[6a,6a]N[5])(C[5]N[5]O[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(C[6a]C[6a]C[5]){1|Pd<4>,1|O<2>,2|H<1>,2|N<3>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]N[5]Pd){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]N[5])(C[5]N[5]O[5])(C[6a]C[6a]H){1|Pd<4>,1|H<1>,2|C<4>,4|C<3>}	118.9710	0.000	1	118.9710	0.000	1	118.9710	0.000	1	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,2|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(COO){2|H<1>,3|C<3>}	118.6510	0.000	1	118.6510	0.000	1	120.5556	1.316	10	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,2|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	120.9290	0.221	2	121.3632	0.190	6	120.5556	1.316	10	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(COO){1|H<1>,1|O<2>,3|C<3>}	121.3940	0.000	1	121.3632	0.190	6	120.5556	1.316	10	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	121.6423	0.379	3	121.3632	0.190	6	120.5556	1.316	10	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(COO)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(COO){1|C<4>,1|H<1>,3|C<3>}	120.1130	0.000	1	120.1130	0.000	1	120.5556	1.316	10	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(COO)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(COO){1|C<4>,1|H<1>,3|C<3>}	119.3065	0.199	2	119.3065	0.039	2	120.5556	1.316	10	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[5]C[5]2)	N[5](C[5]C[6a]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[5]C[5]2){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]N[5])2(C[6a]C[6a]2){1|Ir<6>,1|C<4>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	118.4990	1.224	6	118.4990	1.499	6	118.7513	1.695	7	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[5]C[5]2){1|N<2>,2|H<1>,2|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	120.2650	0.000	1	120.2650	0.000	1	118.7513	1.695	7	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	119.8210	0.000	1	119.8210	0.000	1	120.9894	2.864	5	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5]O)2(C[6a]C[6a]2){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	123.0290	0.000	1	123.0290	0.000	1	120.9894	2.864	5	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	122.6330	0.000	1	122.6330	0.000	1	120.9894	2.864	5	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)2(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]N)2(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|N<3>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]C){1|H<1>,1|N<3>,3|C<3>}	119.7320	0.259	2	119.7320	0.067	2	120.9894	2.864	5	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){2|H<1>,2|O<1>,5|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){2|H<1>,2|O<1>,5|C<3>}	121.0405	0.330	2	121.0405	0.109	2	121.0405	0.109	2	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5]C[5]2){2|H<1>,2|O<1>,5|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	119.8850	0.000	1	119.8850	0.000	1	119.8850	0.000	1	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5])	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,3|H<1>,5|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5]){1|P<3>,2|H<1>,8|C<3>}	120.3020	0.000	1	120.3020	0.000	1	118.9115	3.867	2	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5])	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|Ir<6>,1|N<3>,2|H<1>,5|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5]){1|P<4>,2|H<1>,8|C<3>}	117.5210	0.000	1	117.5210	0.000	1	118.9115	3.867	2	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	120.5600	0.000	1	120.5600	0.000	1	119.8204	3.781	5	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Rh<8>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCC){2|H<1>,3|C<3>}	122.9120	0.000	1	122.9120	0.000	1	119.8204	3.781	5	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCC)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C){1|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCC){1|H<1>,4|C<3>}	118.5433	0.252	3	118.5433	0.064	3	119.8204	3.781	5	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCH){1|C<4>,1|H<1>,3|C<3>}	118.2400	0.577	3	118.2400	0.332	3	120.5443	3.601	37	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,3|C<3>}	122.8560	0.000	1	122.5725	0.313	4	120.5443	3.601	37	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,3|C<3>}	122.4780	0.645	3	122.5725	0.313	4	120.5443	3.601	37	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|N<3>,1|S<1>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO){1|H<1>,1|O<2>,3|C<3>}	123.3350	0.000	2	123.3350	0.000	2	120.5443	3.601	37	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]N){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	124.7190	0.000	1	124.7190	0.000	1	120.5443	3.601	37	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	121.1890	0.000	1	121.1890	0.000	1	120.5443	3.601	37	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|Ir<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	121.0420	0.000	1	121.0420	0.000	1	120.5443	3.601	37	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NIrH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|Ir<8>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NIrH){2|H<1>,3|C<3>}	117.7950	0.000	1	117.7950	0.000	1	120.5443	3.601	37	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]Ni)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|Ni<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]Ni){2|H<1>,3|C<3>}	118.4495	0.267	2	118.4495	0.071	2	120.5443	3.601	37	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NNiP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|Ni<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NNiP){2|H<1>,3|C<3>}	119.3940	0.897	2	119.9203	1.233	3	120.5443	3.601	37	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NNiP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|Ni<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NNiP){2|H<1>,3|C<3>}	120.9730	0.000	1	119.9203	1.233	3	120.5443	3.601	37	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]H){2|H<1>,3|C<3>}	119.5687	0.988	3	119.5687	0.976	3	120.5443	3.601	37	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]Pd)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]Pd){2|H<1>,3|C<3>}	119.9393	0.814	3	119.9409	0.391	7	120.5443	3.601	37	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]Pd)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]Pd){2|H<1>,3|C<3>}	119.9420	0.584	4	119.9409	0.391	7	120.5443	3.601	37	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|Pt<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]H){2|H<1>,3|C<3>}	119.0775	0.084	2	119.0775	0.007	2	120.5443	3.601	37	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|Rh<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	120.8670	0.000	1	120.8670	0.000	1	120.5443	3.601	37	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|Rh<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,3|C<3>}	121.7120	0.000	1	122.0670	0.095	3	120.5443	3.601	37	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|Rh<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,3|C<3>}	122.2445	0.043	2	122.0670	0.095	3	120.5443	3.601	37	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]N)2(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]C){1|H<1>,1|N<3>,3|C<3>}	119.4020	0.711	2	119.4020	0.506	2	120.5443	3.601	37	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]N)(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]H){1|Rh<8>,1|H<1>,3|C<3>}	124.7340	0.000	1	124.7340	0.000	1	120.5443	3.601	37	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,4|C<3>,4|H<1>}	120.4727	0.636	4	120.6511	0.431	12	121.6504	1.266	29	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){2|N<3>,3|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Pd<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){2|N<3>,3|H<1>,4|C<3>}	120.7403	0.691	8	120.6511	0.431	12	121.6504	1.266	29	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,1|P<4>,3|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,1|P<4>,3|H<1>,4|C<3>}	123.1415	0.591	4	123.1415	0.350	4	121.6504	1.266	29	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Br<1>,1|Pd<4>,1|N<3>,2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Br<1>,1|Pd<4>,1|N<3>,2|H<1>,4|C<3>}	122.5135	0.640	2	122.2242	0.321	6	121.6504	1.266	29	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Ir<8>,1|Pd<4>,1|N<3>,2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Pd<4>,2|H<1>,2|N<3>,4|C<3>}	122.3060	0.000	1	122.2242	0.321	6	121.6504	1.266	29	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Pd<4>,1|N<3>,3|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Pd<4>,1|N<3>,3|H<1>,4|C<3>}	121.7710	0.741	2	122.2242	0.321	6	121.6504	1.266	29	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Pd<4>,2|H<1>,2|N<3>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Ir<8>,1|Pd<4>,1|N<3>,2|H<1>,4|C<3>}	122.4700	0.000	1	122.2242	0.321	6	121.6504	1.266	29	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Pt<4>,2|H<1>,2|N<3>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Pt<4>,2|H<1>,2|N<3>,4|C<3>}	121.3710	0.253	4	121.3710	0.064	4	121.6504	1.266	29	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Rh<4>,1|N<3>,3|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Rh<4>,1|N<3>,3|H<1>,4|C<3>}	122.6930	0.000	1	122.6930	0.000	1	121.6504	1.266	29	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Ru<9>,1|N<3>,3|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Ru<9>,1|N<3>,3|H<1>,4|C<3>}	122.9810	0.231	2	122.9810	0.053	2	121.6504	1.266	29	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]C[6a])(N[5]C[5,6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]N[5])	C[6a](C[6a]C[6,6a]C[6a])(N[5]C[5,6a]C[5])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,1|H<1>,1|N<3>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]N[5]){1|N<3>,3|C<4>,3|H<1>,5|C<3>}	118.2270	0.000	1	118.2270	0.000	1	118.2270	0.000	1	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5])	C[6a](C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(C[6a]C[6a]H){1|Pd<4>,1|H<1>,1|N<3>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5]){1|N<3>,2|H<1>,8|C<3>}	117.1775	0.979	2	117.1775	0.959	2	117.1775	0.959	2	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5])(N[5]C[5]N[5])(C[6a]C[6a]O)	N[5](C[6a]C[6a]2)(N[5]C[5]Pd)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(N[5]C[5]N[5])(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[5])(N[5]C[5]N[5])(C[6a]C[6a]O){1|Pd<4>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Pd)(C[5]C[5]C){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]N[5])(N[5]C[5]N[5])(C[6a]C[6a]O){1|Pd<4>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	118.8380	0.000	1	118.8380	0.000	1	118.8380	0.000	1	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[6a]-3:	As[3,5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[5]As[3,5]C[5])(C[6a]C[6a]2)2	N[5](As[3,5]As[3,5]N[3])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[5]As[3,5]C[5])(C[6a]C[6a]2)2{1|As<3>,1|N<3>,3|H<1>,6|C<3>}	N[5](As[3,5]As[3,5]N[3])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|As<3>,1|H<1>,2|C<4>,5|C<3>}	120.0095	1.104	2	120.0095	1.218	2	120.0095	1.218	2	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Fe)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Fe<4>,1|N<3>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Fe){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	119.1503	0.950	9	118.9318	1.062	12	119.2205	2.058	13	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Fe)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Fe<8>,1|N<3>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Fe){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	118.2760	1.172	3	118.9318	1.062	12	119.2205	2.058	13	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Pd<7>,1|H<1>,1|N<3>,1|O<2>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]O){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	122.6860	0.000	1	122.6860	0.000	1	119.2205	2.058	13	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]N[5])(C[6a]C[6a]H){1|Pd<4>,1|N<3>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]N[5])(C[6a]C[6a]H){1|Pd<4>,1|N<3>,2|H<1>,5|C<3>}	120.6195	0.043	2	120.6195	0.002	2	120.6195	0.002	2	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](N[5]C[5,6a]P[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(P[5]N[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NB[5]C)	C[6a](N[5]C[5,6a]P[5])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,2|N<3>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(P[5]N[5]N){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NB[5]C){1|P<3>,2|C<3>,2|H<1>}	120.7330	0.000	1	120.7330	0.000	1	120.7330	0.000	1	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]N)(C[6a]N[6a]H)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCC)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	122.2170	0.000	1	122.2170	0.000	1	122.2170	0.000	1	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(N[5]C[5]Co)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]C)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Co<9>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(N[5]C[5]Co)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]C){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	122.4810	0.000	1	122.4810	0.000	1	122.0410	0.321	6	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCC)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Ir<8>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCC){1|N<3>,2|C<3>,2|H<1>}	122.3310	0.000	1	122.3310	0.000	1	122.0410	0.321	6	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]C)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Ir<8>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]C){1|N<3>,2|C<3>,2|H<1>}	121.9780	0.000	1	121.9780	0.000	1	122.0410	0.321	6	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(N[5]C[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCC)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Rh<8>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(N[5]C[5]Rh)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCC){1|N<3>,2|C<3>,2|H<1>}	122.5040	0.000	1	122.5040	0.000	1	122.0410	0.321	6	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(N[5]C[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]C)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Rh<8>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(N[5]C[5]Rh)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]C){1|N<3>,2|C<3>,2|H<1>}	120.9920	0.000	1	120.9920	0.000	1	122.0410	0.321	6	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(N[5]C[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCC)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Ru<9>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ru)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCC){1|N<3>,2|C<3>,2|H<1>}	121.9600	0.000	1	121.9600	0.000	1	122.0410	0.321	6	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(N[5]C[5]Co)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Co<4>,3|H<1>,5|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Co)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H){2|N<3>,3|H<1>,4|C<3>}	119.7790	0.178	2	119.7790	0.032	2	119.7790	0.032	2	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[6a]C[6a]2)(N[5]C[5]Al)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]Al)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Al<4>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(N[5]C[5]Al)(C[5]C[5]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]Al){1|N<3>,2|C<3>,2|H<1>}	121.3340	0.000	1	121.3340	0.000	1	121.6415	0.697	41	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[6a]C[6a]2)(N[5]C[5]Ni)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]Ni)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Ni<6>,1|C<2>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ni)(C[5]C[5]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]Ni){1|N<3>,2|C<3>,2|H<1>}	122.0883	0.364	4	121.9605	0.597	19	121.6415	0.697	41	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[6a]C[6a]2)(N[5]C[5]Ni)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]Ni)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Ni<6>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ni)(C[5]C[5]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]Ni){1|N<3>,2|C<3>,2|H<1>}	122.3317	0.797	8	121.9605	0.597	19	121.6415	0.697	41	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[6a]C[6a]2)(N[5]C[5]Ni)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]Ni)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Ni<6>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ni)(C[5]C[5]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]Ni){1|N<3>,2|C<3>,2|H<1>}	121.4631	0.709	7	121.9605	0.597	19	121.6415	0.697	41	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[6a]C[6a]2)(N[5]C[5]Re)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]Re)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Re<6>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Re)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]Re){1|N<3>,2|C<3>,2|H<1>}	121.1890	0.000	1	120.9200	0.532	3	121.6415	0.697	41	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[6a]C[6a]2)(N[5]C[5]Re)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]Re)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Re<6>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Re)(C[5]C[5]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]Re){1|N<3>,2|C<3>,2|H<1>}	120.7855	0.978	2	120.9200	0.532	3	121.6415	0.697	41	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[6a]C[6a]2)(N[5]C[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]Rh)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Rh<6>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Rh)(C[5]C[5]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]Rh){1|N<3>,2|C<3>,2|H<1>}	121.6374	0.645	16	121.6374	0.416	16	121.6415	0.697	41	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[6a]C[6a]2)(N[5]C[5]Zn)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NZnC)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Zn<4>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Zn)(C[5]C[5]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NZnC){1|N<3>,2|C<3>,2|H<1>}	119.9910	0.000	1	119.9910	0.000	1	121.6415	0.697	41	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[6a]C[6a]2)(N[5]C[5]Zn)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NZnP)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Zn<4>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Zn)(C[5]C[5]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NZnP){1|N<3>,2|C<3>,2|H<1>}	119.7690	0.000	1	119.7690	0.000	1	121.6415	0.697	41	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[6a]-3:	P[3,5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[5]P[3,5]C[5])(C[6a]C[6a]2)2	N[5](P[3,5]P[3,5]N[3])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[5]P[3,5]C[5])(C[6a]C[6a]2)2{1|N<3>,1|P<3>,3|H<1>,6|C<3>}	N[5](P[3,5]P[3,5]N[3])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|P<3>,2|C<4>,5|C<3>}	119.9710	0.462	2	119.9710	0.214	2	119.9710	0.214	2	120.7640	2.663	173	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(C[6a]C[6a]P)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]N[5]Pd)	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(PC[6a]2C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(C[6a]C[6a]P){1|Pd<4>,1|N<3>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]N[5]Pd){1|C<4>,1|H<1>,1|P<4>,5|C<3>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(PC[6a]2C){1|H<1>,4|C<3>}	119.8477	0.220	3	120.3245	0.942	4	120.3245	0.942	4	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(C[6a]C[6a]P)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]N[5]Pd)	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(PC[6a]2C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(C[6a]C[6a]P){1|Pd<5>,1|N<3>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]N[5]Pd){1|C<4>,1|H<1>,1|P<4>,5|C<3>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(PC[6a]2C){1|H<1>,4|C<3>}	121.7550	0.000	1	120.3245	0.942	4	120.3245	0.942	4	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[5,6a]H)(CH3)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(N[5]C[5]2){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[5,6a]H)(CH3){1|H<1>,4|C<3>}	118.3690	0.000	1	118.3690	0.000	1	119.4796	4.249	122	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[5]C[5]2)	N[5](C[5]C[6a]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[5]C[5]2){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	N[5](C[5]C[6a]N[5])2(C[6a]C[6a]2){1|Ir<6>,1|C<4>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){5|C<3>}	118.9372	0.980	6	118.9372	0.961	6	119.4796	4.249	122	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[4,5,6]O)(C[5]C[4,5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[4,5,6]O)(C[5]C[4,5]O)(C[6a]C[6a]2){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC3){1|H<1>,1|O<2>,3|C<3>}	123.3740	0.000	1	123.3480	0.207	3	119.4796	4.249	122	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[4,5,6]O)(C[5]C[4,5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[4,5,6]O)(C[5]C[4,5]O)(C[6a]C[6a]2){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC3){2|H<1>,3|C<3>}	123.3350	0.642	2	123.3480	0.207	3	119.4796	4.249	122	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[4,5]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[4,5]O)2(C[6a]C[6a]2){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC3){2|H<1>,3|C<3>}	123.6863	0.226	4	123.6863	0.051	4	119.4796	4.249	122	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){2|H<1>,3|C<3>}	120.8227	0.466	3	120.8227	0.217	3	119.4796	4.249	122	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	121.2210	0.000	1	120.5280	0.960	2	119.4796	4.249	122	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	119.8350	0.000	1	120.5280	0.960	2	119.4796	4.249	122	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|F<1>,1|H<1>,2|C<4>,2|O<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	120.3270	0.000	1	119.9939	0.336	8	119.4796	4.249	122	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	118.8940	0.000	1	119.9939	0.336	8	119.4796	4.249	122	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	119.5180	0.000	1	119.9939	0.336	8	119.4796	4.249	122	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	120.2490	0.000	2	119.9939	0.336	8	119.4796	4.249	122	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	120.2380	0.497	3	119.9939	0.336	8	119.4796	4.249	122	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	120.0707	0.823	3	120.0707	0.678	3	119.4796	4.249	122	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|N<2>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H)(CH3){1|H<1>,3|C<3>}	121.1200	0.839	2	121.1200	0.703	2	119.4796	4.249	122	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC3){2|H<1>,3|C<3>}	123.3700	0.000	1	123.3700	0.000	1	119.4796	4.249	122	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(CBrHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(CBrHH){1|H<1>,1|O<2>,3|C<3>}	120.1650	0.000	1	120.1650	0.000	1	119.4796	4.249	122	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC3){1|H<1>,1|N<3>,3|C<3>}	122.9080	0.000	1	122.9080	0.000	1	119.4796	4.249	122	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	119.0230	0.000	1	119.0230	0.000	1	119.4796	4.249	122	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	119.8470	0.000	1	119.5665	0.157	2	119.4796	4.249	122	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	119.2860	0.000	1	119.5665	0.157	2	119.4796	4.249	122	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5a]N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CN[5a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[5a]N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CN[5a]HH){2|H<1>,3|C<3>}	119.2370	0.000	1	119.2370	0.000	1	119.4796	4.249	122	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[4,5]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[4,5]O)2(C[6a]C[6a]2){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,1|O<2>,3|C<3>}	124.0555	0.235	6	123.9453	0.081	8	119.4796	4.249	122	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[4,5]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[4,5]O)2(C[6a]C[6a]2){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,1|O<2>,3|C<3>}	123.6145	0.016	2	123.9453	0.081	8	119.4796	4.249	122	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[6,6]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]B[6,6]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|H<1>,4|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.0915	2.053	2	118.0915	4.214	2	119.4796	4.249	122	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[4,5]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[4,5]O)2(C[6a]C[6a]2){1|H<1>,2|C<3>,5|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH){1|C<4>,1|H<1>,3|C<3>}	115.1430	0.000	1	115.1430	0.000	1	119.4796	4.249	122	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[4,5]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[4,5]O)2(C[6a]C[6a]2){1|H<1>,2|C<3>,5|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	121.4200	0.000	1	121.4200	0.000	1	119.4796	4.249	122	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,2|O<1>,4|C<4>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(CH3){1|C<4>,1|N<3>,3|C<3>}	118.2795	0.272	4	118.2795	0.074	4	119.4796	4.249	122	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,5,6]O)2(C[6a]C[6a]2){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	118.0600	0.000	1	118.0600	0.000	1	119.4796	4.249	122	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[5,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.5255	1.620	2	118.5255	2.624	2	119.4796	4.249	122	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	118.7680	0.147	2	118.7680	0.022	2	119.4796	4.249	122	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|N<3>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	119.2635	1.759	4	119.2635	3.095	4	119.4796	4.249	122	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	118.5025	1.462	2	118.5025	2.136	2	119.4796	4.249	122	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6a]O)(C[5]C[5,6a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|O<1>,1|S<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]O)(C[5]C[5,6a]S)(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.8480	0.165	2	118.8480	0.027	2	119.4796	4.249	122	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.1851	0.454	8	118.1851	0.206	8	119.4796	4.249	122	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	118.9785	0.241	2	118.8767	2.725	12	119.4796	4.249	122	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	118.8686	2.065	8	118.8767	2.725	12	119.4796	4.249	122	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.8070	0.185	2	118.8767	2.725	12	119.4796	4.249	122	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6a]Se)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Se<1>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]Se)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.2505	0.711	2	118.2505	0.505	2	119.4796	4.249	122	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Al<4>,2|C<4>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.1625	0.803	2	118.0866	0.340	26	119.4796	4.249	122	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|B<4>,2|C<4>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.0990	0.820	4	118.0866	0.340	26	119.4796	4.249	122	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Fe<5>,2|C<4>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.2570	0.501	2	118.0866	0.340	26	119.4796	4.249	122	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.7550	0.646	6	118.0866	0.340	26	119.4796	4.249	122	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Ni<4>,2|C<4>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.4585	0.600	2	118.0866	0.340	26	119.4796	4.249	122	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Pd<4>,2|C<4>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.0983	0.503	8	118.0866	0.340	26	119.4796	4.249	122	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Zn<3>,2|C<4>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.3920	0.419	2	118.0866	0.340	26	119.4796	4.249	122	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[5]B[5]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]B[5]C[5])(C[6a]C[6a]2){1|H<1>,2|C<4>,2|O<2>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.8830	0.288	2	117.8830	0.083	2	119.4796	4.249	122	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]N[5,6a]Pd)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]N[5,6a]Pd)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.4050	0.299	4	118.4050	0.089	4	119.4796	4.249	122	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Pd<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]Pd){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	120.7270	2.359	2	120.7270	5.564	2	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]H){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	118.9400	0.979	2	118.9400	0.958	2	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Pd<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Pd){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	117.6520	0.000	1	117.6520	0.000	1	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Rh)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Rh<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Rh){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	118.2460	0.776	2	118.4247	0.397	3	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Rh)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Rh<5>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Rh){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	118.7820	0.000	1	118.4247	0.397	3	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[3,3,5,5,6x6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]B[3,3,5,5,6x6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|C<4>,2|H<1>,3|B<6>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.1225	0.901	4	118.1225	0.812	4	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[3,3,5,6,6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]B[3,3,5,6,6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|B<5>,2|B<6>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.0072	0.863	4	118.0072	0.744	4	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[3]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]B[3]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Br<1>,1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.2870	1.994	4	118.3064	1.861	8	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[3]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]B[3]N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.3257	0.603	4	118.3064	1.861	8	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[3]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]B[3]N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.6764	0.123	5	118.6764	0.015	5	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[3x6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]B[3x6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.1861	1.451	8	118.3891	1.870	16	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[3x6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]B[3x6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,3|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.5921	1.344	8	118.3891	1.870	16	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Br<1>,1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.9695	0.780	4	118.0838	0.300	12	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.0832	0.596	4	118.0838	0.300	12	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.1987	0.317	4	118.0838	0.300	12	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|B<3>,1|H<1>,2|C<4>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.7672	1.145	4	118.5046	0.838	12	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.3732	0.834	8	118.5046	0.838	12	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[6,6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]B[6,6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.5640	0.727	4	118.5640	0.529	4	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<3>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]B[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.5754	1.014	8	118.4942	0.842	12	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]B[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,1|N<2>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.3317	0.797	4	118.4942	0.842	12	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6,6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]C[5,6,6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.7145	0.708	16	117.7145	0.502	16	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,3|C<3>,3|H<1>}	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,1|O<2>,1|P<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.2182	0.859	4	118.0877	0.325	16	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,3|C<3>,3|H<1>}	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.0442	0.484	12	118.0877	0.325	16	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,2|C<4>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.2930	0.570	4	118.2930	0.325	4	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.6492	0.675	4	117.6492	0.456	4	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Re<6>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.4925	0.006	2	118.9102	0.663	27	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,3|C<3>,3|H<1>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.1365	0.426	8	118.9102	0.663	27	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,3|C<3>,3|H<1>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	119.3234	0.704	17	118.9102	0.663	27	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Al)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Al<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Al){2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.1345	0.452	2	118.1345	0.204	2	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Fe)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Fe<5>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Fe){2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.2805	0.626	2	118.2805	0.392	2	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.4665	0.674	2	118.1256	0.701	48	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.0798	1.079	16	118.1256	0.701	48	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Ir<6>,1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.4705	0.831	4	118.1256	0.701	48	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|N<2>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.9733	0.126	4	118.1256	0.701	48	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Ni<4>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.3045	0.501	2	118.1256	0.701	48	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Pd<4>,1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.1063	1.391	4	118.1256	0.701	48	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Pd<4>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.1621	0.652	8	118.1256	0.701	48	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Pt<4>,1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.1940	1.113	2	118.1256	0.701	48	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.8872	0.530	6	118.1256	0.701	48	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Pt<4>,1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.1215	0.415	2	118.1215	0.172	2	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]N){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.1703	1.107	4	118.1703	1.226	4	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Ni)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Ni){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.2990	0.585	2	118.3738	0.208	4	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Ni)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Ni){2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.4485	0.510	2	118.3738	0.208	4	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pd<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Pd){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.4359	1.129	8	118.2032	0.725	16	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pd<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Pd){2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.9705	0.393	8	118.2032	0.725	16	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Zn)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Zn<3>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Zn){2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.2540	0.539	2	118.2540	0.290	2	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pd<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]Pd){3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.3980	0.676	2	118.3980	0.457	2	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]Ga[5]C[5])(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ga<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]Ga[5]C[5])(C[6a]C[6a]2)(C[5]N[5]H){1|H<1>,1|I<1>,2|C<4>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.1340	0.171	2	118.0412	0.130	4	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]Ga[5]C[5])(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ga<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]Ga[5]C[5])(C[6a]C[6a]2)(C[5]N[5]H){1|H<1>,1|P<2>,2|C<4>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	117.9485	0.572	2	118.0412	0.130	4	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]N[4]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){2|C<3>,2|N<3>,3|H<1>}	N[5](C[5]N[4]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Ge<2>,1|Si<4>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.1437	0.355	4	118.1437	0.126	4	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]N[5]P[3])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,1|P<3>,2|C<3>,3|H<1>}	N[5](C[5]N[5]P[3])(C[6a]C[6a]2)(C[5]C[5]H){1|B<4>,1|H<1>,1|P<3>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.9384	0.783	8	117.9384	0.613	8	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]N[5]P[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,1|P<3>,2|C<3>,3|H<1>}	N[5](C[5]N[5]P[6])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,1|P<3>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.9442	0.619	4	117.8655	0.244	8	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]N[5]P[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,1|P<3>,2|C<3>,3|H<1>}	N[5](C[5]N[5]P[6])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.7867	0.413	4	117.8655	0.244	8	118.2723	0.792	258	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H){1|C<4>,1|F<1>,3|C<3>}	121.9080	0.000	1	121.9080	0.000	1	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]O){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	119.2970	0.000	1	119.2970	0.000	1	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){2|C<3>,2|N<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	120.2875	0.572	2	120.2875	0.327	2	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CSiCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CSiCH){2|H<1>,3|C<3>}	119.8695	0.326	2	119.8695	0.106	2	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]C[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|O<1>,1|S<1>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]C[5]S){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	119.5950	0.000	1	119.5950	0.000	1	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|S<1>,1|S<2>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]S[5]S){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	119.3870	0.000	1	119.3870	0.000	1	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(CH3){2|H<1>,3|C<3>}	119.2900	0.000	1	119.2900	0.000	1	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC3){1|Br<1>,1|H<1>,3|C<3>}	123.3285	0.078	2	122.8950	0.134	7	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC3){2|H<1>,3|C<3>}	122.2860	0.000	1	122.8950	0.134	7	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC3){2|H<1>,3|C<3>}	122.9195	0.052	2	122.8950	0.134	7	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC3){2|H<1>,3|C<3>}	122.7415	0.037	2	122.8950	0.134	7	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	119.3310	0.000	1	119.3310	0.000	1	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Ir<6>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	119.6730	0.000	1	119.4090	0.139	2	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Ir<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	119.1450	0.000	1	119.4090	0.139	2	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Ir<8>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	119.5040	0.000	1	119.5040	0.000	1	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Ni<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	118.1800	0.273	2	118.1800	0.074	2	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Os<9>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	122.1760	0.000	1	122.1760	0.000	1	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC3){2|H<1>,3|C<3>}	123.3735	0.900	2	123.3735	0.810	2	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){2|H<1>,3|C<3>}	119.9910	0.021	2	119.9910	0.000	2	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Ru<9>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	120.4960	0.000	1	120.4960	0.000	1	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	119.5713	0.398	3	119.5713	0.159	3	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,1|O<2>,3|C<3>}	120.4180	0.000	1	120.4180	0.000	1	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]Al)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Al<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Al)(C[5]N[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.8230	0.250	2	117.8230	0.063	2	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]B)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]B)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.1333	0.097	4	118.1333	0.009	4	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]B)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]B)(C[5]N[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.1550	0.543	2	118.1550	0.295	2	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]B)(C[5]N[5]P)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<4>,1|N<3>,1|P<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]B)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.7805	3.354	2	118.7805	11.248	2	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]B)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]B)(C[5]N[5]S){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.1668	1.015	6	118.1668	1.031	6	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]B)(C[5]N[5]V)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<4>,1|N<3>,1|V<4>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]B)(C[5]N[5]V){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.4885	0.221	2	118.4885	0.049	2	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]Br)(C[5]N[5]Ir)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Br<1>,1|Ir<6>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Br)(C[5]N[5]Ir){1|Br<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.1608	1.146	4	118.1608	1.313	4	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]Br)(C[5]N[5]Ir)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Br<1>,1|Ir<6>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Br)(C[5]N[5]Ir){1|Br<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.6787	0.776	4	118.6787	0.603	4	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C){3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.4556	0.528	20	118.4556	0.279	20	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.5520	0.283	2	118.2714	0.389	12	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]H){2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.3595	0.252	2	118.2714	0.389	12	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]H){3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.2515	0.545	4	118.2714	0.389	12	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]H){1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.1070	0.993	4	118.2714	0.389	12	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]S){3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.4530	0.189	4	118.4530	0.036	4	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]Cl)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){2|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]Cl){1|P<4>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.4680	0.850	4	117.4680	0.723	4	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]Cu)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Cl<1>,1|Cu<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]Cu){1|Cl<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.4075	0.336	4	117.4075	0.113	4	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]Fe)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Cl<1>,1|Fe<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]Fe){1|Cl<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.8814	0.718	8	117.8814	0.515	8	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]Fe)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Cl<1>,1|Fe<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]Fe){1|Cl<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.5513	1.073	4	118.5513	1.152	4	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Cl<1>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]H){1|Cl<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.7145	0.762	4	117.7145	0.580	4	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]P)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Cl<1>,1|N<3>,1|P<2>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]P){1|Cl<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.6550	0.121	3	117.7564	0.521	11	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]P)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Cl<1>,1|N<3>,1|P<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]P){1|Cl<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.7944	0.857	8	117.7564	0.521	11	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]Rh)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Cl<1>,1|Rh<6>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]Rh){1|P<4>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.1950	1.304	2	118.1950	1.700	2	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]Se)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Cl<1>,1|Se<1>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]Se){1|Cl<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.1760	0.274	2	118.1760	0.075	2	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]U)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Cl<1>,1|N<3>,1|U<6>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Cl)(C[5]N[5]U){1|Cl<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.4515	0.947	4	118.4515	0.897	4	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]Ga)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ga<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Ga)(C[5]N[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.0087	0.699	6	118.0087	0.489	6	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<3>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.1280	0.736	16	118.1346	0.616	140	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.1507	0.797	120	118.1346	0.616	140	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.6790	0.578	4	118.1346	0.616	140	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<3>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.8670	1.116	44	118.7417	0.871	92	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.7182	0.561	10	118.7417	0.871	92	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]B){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.6027	0.762	38	118.7417	0.871	92	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.2755	0.275	4	118.2575	0.536	224	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|B<4>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.7495	0.394	4	118.2575	0.536	224	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.0036	0.540	10	118.2575	0.536	224	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.1129	0.693	56	118.2575	0.536	224	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.3580	0.310	6	118.2575	0.536	224	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.3408	0.773	144	118.2575	0.536	224	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H){1|C<4>,1|O<2>,3|C<3>}	118.7110	0.804	8	118.7258	0.988	16	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H){2|C<4>,3|C<3>}	118.7405	1.213	8	118.7258	0.988	16	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.5700	0.918	2	118.6025	0.721	71	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.3638	1.215	12	118.6025	0.721	71	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|Pd<4>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.3675	0.282	4	118.6025	0.721	71	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|Fe<8>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.9890	0.153	2	118.6025	0.721	71	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.7820	1.609	2	118.6025	0.721	71	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	117.7403	0.649	4	118.6025	0.721	71	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.7356	0.756	43	118.6025	0.721	71	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|Ru<8>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.8360	0.395	2	118.6025	0.721	71	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Al<4>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.0180	0.007	2	117.8549	0.365	136	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|B<4>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.9025	0.250	2	117.8549	0.365	136	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Ga<4>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.9842	0.284	6	117.8549	0.365	136	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.9304	0.570	20	117.8549	0.365	136	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.8014	0.602	88	117.8549	0.365	136	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){2|C<4>,3|C<3>}	118.2585	0.279	4	117.8549	0.365	136	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|N<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.0960	0.617	2	117.8549	0.365	136	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Sb<4>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.8688	1.207	4	117.8549	0.365	136	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Si<5>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.7257	0.950	6	117.8549	0.365	136	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.1685	0.275	2	117.8549	0.365	136	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H){2|C<4>,3|C<3>}	118.6205	0.538	2	118.6205	0.290	2	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.4759	0.488	8	118.3968	0.619	195	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Cu<4>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.4805	0.829	2	118.3968	0.619	195	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Ga<4>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.0365	0.097	4	118.3968	0.619	195	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.5751	0.848	7	118.3968	0.619	195	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.4325	0.727	56	118.3968	0.619	195	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	118.0049	1.191	14	118.3968	0.619	195	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.3383	0.765	76	118.3968	0.619	195	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Ir<6>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.3860	0.229	2	118.3968	0.619	195	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|N<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.5520	0.116	2	118.3968	0.619	195	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|N<3>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.4640	0.610	2	118.3968	0.619	195	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|N<4>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.0410	0.503	2	118.3968	0.619	195	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Os<6>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	119.0585	1.059	8	118.3968	0.619	195	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Os<7>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.3185	0.491	2	118.3968	0.619	195	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Os<7>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.7190	0.703	2	118.3968	0.619	195	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Os<8>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.4085	0.530	2	118.3968	0.619	195	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Ru<6>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	119.0080	1.622	2	118.3968	0.619	195	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|Ru<7>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.8700	0.498	2	118.3968	0.619	195	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.2190	0.974	2	118.3968	0.619	195	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]I)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|I<1>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]I){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.7853	0.374	4	117.7853	0.140	4	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.4669	0.594	169	118.4403	0.367	204	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){2|C<3>,2|N<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.3122	0.651	35	118.4403	0.367	204	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.6845	0.633	86	118.6927	0.414	119	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){2|C<3>,2|N<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	118.0430	0.950	2	118.6927	0.414	119	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){2|C<3>,2|N<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.6655	0.285	4	118.6927	0.414	119	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){2|C<3>,2|N<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.7708	0.697	27	118.6927	0.414	119	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,1|P<2>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.1675	0.573	2	118.1451	0.621	124	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,1|P<2>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.2606	0.719	92	118.1451	0.621	124	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,1|P<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|B<4>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.9645	1.604	2	118.1451	0.621	124	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,1|P<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.2210	1.213	2	118.1451	0.621	124	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,1|P<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.9078	0.772	18	118.1451	0.621	124	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,1|P<4>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.3726	1.055	8	118.1451	0.621	124	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,1|P<2>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H){2|C<4>,3|C<3>}	119.0775	0.270	4	118.7861	0.467	16	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,1|P<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H){2|C<4>,3|C<3>}	118.6167	0.786	8	118.7861	0.467	16	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,1|P<4>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H){2|C<4>,3|C<3>}	118.8335	0.793	4	118.7861	0.467	16	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,1|P<2>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.6041	0.622	24	118.4141	0.411	49	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,1|P<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.6103	0.792	4	118.4141	0.411	49	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,1|P<4>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]P){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.1597	0.573	21	118.4141	0.411	49	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,1|S<1>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.1486	0.566	20	118.0984	0.570	56	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,1|S<1>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|Li<4>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.7205	0.153	2	118.0984	0.570	56	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,1|S<2>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.5025	0.958	8	118.0984	0.570	56	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,1|S<2>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|B<4>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.7698	1.363	6	118.0984	0.570	56	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,1|S<2>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.9228	0.569	20	118.0984	0.570	56	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,1|S<1>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|P<3>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.6050	0.750	2	118.5350	0.493	65	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,1|S<2>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	118.3005	0.561	18	118.5350	0.493	65	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,1|S<2>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.5767	0.699	21	118.5350	0.493	65	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,1|S<2>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]S){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.6687	0.792	24	118.5350	0.493	65	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]U)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,1|U<6>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]U){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.7845	0.616	4	118.7845	0.380	4	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]V)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,1|V<4>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]V){1|B<4>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.2425	0.231	2	118.3141	0.734	10	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]V)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,1|V<6>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]V){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.3320	0.966	8	118.3141	0.734	10	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]V)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,1|V<5>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]V){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.4638	0.961	12	118.4638	0.924	12	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]W)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,1|W<5>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]W){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.0285	0.337	4	118.0972	0.109	5	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]W)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,1|W<6>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]W){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.3720	0.000	1	118.0972	0.109	5	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]W)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,1|W<6>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]W){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.5684	1.270	24	118.7507	1.435	48	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]W)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,1|W<7>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]W){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.6543	0.925	8	118.7507	1.435	48	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]W)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,1|W<8>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]W){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	119.0801	0.817	8	118.7507	1.435	48	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]W)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,1|W<9>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]W){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	119.0648	1.566	8	118.7507	1.435	48	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]Li)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Li<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Li)(C[5]N[5]S){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.9385	0.525	2	118.9385	0.276	2	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]C[5]O){1|O<1>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	119.3325	0.243	2	119.3325	0.059	2	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]N[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.5380	0.267	2	118.5380	0.071	2	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]N[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.9850	0.102	2	118.4237	1.029	6	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,1|N<4>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]N[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.0185	1.860	2	118.4237	1.029	6	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){2|C<3>,2|N<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]N[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.2675	0.815	2	118.4237	1.029	6	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|S<1>,2|C<3>,2|H<1>,2|N<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]N[5]S){1|N<3>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.5745	0.866	8	118.5745	0.750	8	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]2){3|C<3>,5|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.3985	0.799	4	118.3985	0.638	4	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]H){2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.6697	0.672	4	118.6697	0.452	4	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]P)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,1|O<1>,1|P<2>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]P){1|O<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.9292	0.993	4	118.9292	0.986	4	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)2{2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	118.8540	0.000	1	118.8540	0.000	1	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]Os)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Os<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Os)(C[5]N[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.6120	1.661	8	118.6120	2.759	8	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,1|P<3>,1|S<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]P)(C[5]N[5]S){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.4405	0.136	2	118.4405	0.019	2	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]S)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,1|S<1>,1|S<2>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]S)(C[5]N[5]S){1|S<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.2142	0.283	4	118.2142	0.080	4	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]Sb)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Sb<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Sb)(C[5]N[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.7990	0.931	4	117.7990	0.866	4	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]Si)(C[5]N[5]Cu)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Cu<2>,1|Si<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Si)(C[5]N[5]Cu){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.3650	0.634	2	118.3650	0.401	2	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]Si)(C[5]N[5]Ge)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ge<3>,1|Si<5>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Si)(C[5]N[5]Ge){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.8575	0.695	2	117.8575	0.483	2	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]Si)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Si<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]Si)(C[5]N[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.9680	0.594	6	117.9680	0.353	6	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Al)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Al<3>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Al)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.1910	0.673	4	118.0883	0.433	28	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Al)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Al<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Al)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.0711	0.668	24	118.0883	0.433	28	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Al)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Al<3>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Al)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.4475	0.743	8	118.5354	0.603	14	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Al)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Al<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Al)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.6525	0.876	6	118.5354	0.603	14	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]As)(C[5]C[5]B)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|As<3>,1|B<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]As)(C[5]C[5]B){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.7780	2.642	2	118.7780	6.979	2	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]As)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|As<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]As)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.3016	0.525	16	118.2738	0.295	18	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]As)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|As<3>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]As)(C[5]C[5]H){1|B<4>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.0520	0.875	2	118.2738	0.295	18	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]As)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|As<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]As)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H){2|C<4>,3|C<3>}	119.2237	1.138	4	119.2237	1.294	4	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]As)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|As<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]As)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.6330	0.426	12	118.6330	0.182	12	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ba)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ba<7>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ba)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.7703	0.599	4	118.7703	0.359	4	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Be)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Be<3>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Be)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.1128	0.505	12	118.1320	0.261	20	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Be)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Be<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Be)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.3515	0.771	4	118.1320	0.261	20	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Be)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Be<7>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Be)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.9700	0.149	4	118.1320	0.261	20	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Be)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Be<3>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Be)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.4944	0.725	10	118.4944	0.526	10	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Br)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Br<1>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Br)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.7782	1.027	4	117.7782	1.054	4	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]C)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<2>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]C)(C[5]N[5]S){1|B<4>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.6088	0.370	6	118.6088	0.137	6	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ca)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ca<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ca)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.6601	0.764	12	118.6960	0.502	14	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ca)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ca<9>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ca)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.9115	0.011	2	118.6960	0.502	14	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Cl)(C[5]C[5]P)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Cl<1>,1|N<3>,1|P<4>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cl)(C[5]C[5]P){1|Cl<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.3510	0.724	4	117.3510	0.524	4	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Co<3>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.3022	0.532	10	118.4370	0.320	30	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Co<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.2755	0.609	8	118.4370	0.320	30	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Co<7>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.7362	0.653	4	118.4370	0.320	30	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Co<8>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.6172	0.513	8	118.4370	0.320	30	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Co<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH){2|C<4>,3|C<3>}	119.6670	0.000	1	119.6670	0.000	1	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCoCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Co<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCoCH){2|C<4>,3|C<3>}	117.5380	0.000	1	117.5380	0.000	1	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCoHH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Co<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCoHH){2|C<4>,3|C<3>}	115.6765	0.053	2	115.6765	0.003	2	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Co<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.6923	0.300	8	118.7411	0.690	145	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Co<3>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.6953	0.857	4	118.7411	0.690	145	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Co<3>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.5550	0.687	24	118.7411	0.690	145	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Co<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	118.5635	0.694	16	118.7411	0.690	145	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Co<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.8181	0.828	19	118.7411	0.690	145	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Co<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.9283	0.937	45	118.7411	0.690	145	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Co<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.7865	0.877	18	118.7411	0.690	145	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Co<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	118.4184	1.291	5	118.7411	0.690	145	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Co<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.6293	1.347	3	118.7411	0.690	145	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Co<7>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.4490	0.260	3	118.7411	0.690	145	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Co<3>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN){2|C<4>,3|C<3>}	119.3555	0.269	2	118.8537	0.792	3	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Co<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN){2|C<4>,3|C<3>}	117.8500	0.000	1	118.8537	0.792	3	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CSiHH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Co<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CSiHH){2|C<4>,3|C<3>}	118.4650	0.000	1	118.6100	0.042	2	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CSiHH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Co<7>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Co)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CSiHH){2|C<4>,3|C<3>}	118.7550	0.000	1	118.6100	0.042	2	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Cr)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Cr<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cr)(C[5]C[5]H){1|H<1>,1|P<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.5800	1.286	2	118.2677	1.865	20	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Cr)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Cr<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cr)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.7075	0.902	2	118.2677	1.865	20	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Cr)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Cr<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cr)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.2180	0.197	4	118.2677	1.865	20	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Cr)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Cr<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cr)(C[5]C[5]H){1|H<1>,1|P<4>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.5080	0.082	2	118.2677	1.865	20	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Cr)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Cr<7>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cr)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.3438	0.976	4	118.2677	1.865	20	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Cr)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Cr<8>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cr)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.2525	2.409	6	118.2677	1.865	20	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Cr)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Cr<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cr)(C[5]C[5]H){1|H<1>,1|P<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.7540	0.429	8	118.7540	0.184	8	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Cu<1>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.7382	1.995	4	118.2895	0.574	218	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Cu<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.2278	0.765	113	118.2895	0.574	218	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Cu<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|N<2>,3|C<3>}	118.5785	0.884	4	118.2895	0.574	218	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Cu<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,4|C<3>}	118.4640	0.643	2	118.2895	0.574	218	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Cu<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H){1|Si<4>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.0040	0.926	2	118.2895	0.574	218	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Cu<3>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.3072	0.579	69	118.2895	0.574	218	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Cu<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.4393	0.876	16	118.2895	0.574	218	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Cu<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.3676	0.998	8	118.2895	0.574	218	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Cu<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H){2|C<4>,3|C<3>}	118.8277	0.365	8	118.7378	0.618	12	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Cu<3>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H){2|C<4>,3|C<3>}	118.5580	1.375	4	118.7378	0.618	12	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Cu<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]CH){2|C<4>,3|C<3>}	118.8485	1.815	2	118.8485	3.295	2	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Cu<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.6410	0.935	4	118.7228	0.492	44	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Cu<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.8553	0.532	10	118.7228	0.492	44	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Cu<3>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.6568	0.888	14	118.7228	0.492	44	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Cu<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.7519	0.710	8	118.7228	0.492	44	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Cu<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Cu)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.6846	0.525	8	118.7228	0.492	44	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Fe<3>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.1758	0.724	8	118.4404	0.535	103	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Fe<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.4220	0.959	4	118.4404	0.535	103	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Fe<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.1667	0.551	26	118.4404	0.535	103	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Fe<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.4577	0.712	27	118.4404	0.535	103	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Fe<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.8597	1.240	10	118.4404	0.535	103	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Fe<7>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.6292	0.399	10	118.4404	0.535	103	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Fe<7>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.4034	0.527	8	118.4404	0.535	103	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Fe<8>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.8567	0.805	6	118.4404	0.535	103	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Fe<9>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.5810	0.628	4	118.4404	0.535	103	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CFeHH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Fe<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CFeHH){2|C<4>,3|C<3>}	116.4010	0.877	2	116.3693	0.283	4	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CFeHH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Fe<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CFeHH){2|C<4>,3|C<3>}	116.1410	0.000	1	116.3693	0.283	4	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CFeHH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Fe<8>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CFeHH){2|C<4>,3|C<3>}	116.5340	0.000	1	116.3693	0.283	4	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Fe<3>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.8263	0.665	24	118.7892	0.891	307	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Fe<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	119.0082	0.675	28	118.7892	0.891	307	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Fe<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.8099	0.868	29	118.7892	0.891	307	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Fe<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.6779	0.964	69	118.7892	0.891	307	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Fe<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.5252	0.997	16	118.7892	0.891	307	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Fe<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.6248	1.086	52	118.7892	0.891	307	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Fe<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	119.7645	1.550	4	118.7892	0.891	307	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Fe<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.8656	1.258	14	118.7892	0.891	307	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Fe<7>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.8823	0.685	12	118.7892	0.891	307	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Fe<7>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.9103	1.032	16	118.7892	0.891	307	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Fe<8>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	119.1745	0.659	6	118.7892	0.891	307	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Fe<8>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.6848	0.661	14	118.7892	0.891	307	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Fe<8>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.9607	1.029	23	118.7892	0.891	307	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHP)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Fe<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHP){2|C<4>,3|C<3>}	118.9740	0.000	1	118.9740	0.000	1	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CSiHH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Fe<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Fe)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CSiHH){2|C<4>,3|C<3>}	118.6905	0.067	2	118.6905	0.005	2	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ga<3>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.1325	0.270	4	118.1122	0.315	38	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ga<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.1098	0.588	34	118.1122	0.315	38	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ga<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ga)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.5652	0.565	4	118.5652	0.319	4	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ge)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ge<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ge)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.4336	0.737	11	118.1796	0.566	48	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ge)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ge<3>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ge)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.1564	1.001	12	118.1796	0.566	48	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ge)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ge<3>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ge)(C[5]C[5]H){1|Si<5>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.4910	0.106	2	118.1796	0.566	48	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ge)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ge<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ge)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.1301	0.619	23	118.1796	0.566	48	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ho)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ho<14>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ho)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.7940	0.894	2	118.7940	0.799	2	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]In)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|In<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]In)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.9382	0.605	4	117.9382	0.366	4	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]In)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|In<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]In)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H){2|C<4>,3|C<3>}	119.0110	0.552	4	119.0110	0.304	4	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]In)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|In<3>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]In)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.5648	1.028	4	118.6357	1.393	16	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]In)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|In<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]In)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.6593	1.268	12	118.6357	1.393	16	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]B)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ir<7>,1|B<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]B){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.9335	0.670	2	118.5117	0.575	6	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]B)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ir<7>,1|B<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]B){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.8565	1.008	2	118.5117	0.575	6	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]B)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ir<9>,1|B<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]B){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.7450	0.629	2	118.5117	0.575	6	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ir<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]C){3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.8837	0.741	4	118.8837	0.550	4	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ir<3>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.5708	1.389	4	118.3776	0.969	41	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ir<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.0740	0.785	4	118.3776	0.969	41	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ir<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.2781	0.769	15	118.3776	0.969	41	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ir<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.7266	1.560	8	118.3776	0.969	41	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ir<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|O<2>,3|C<3>}	118.7200	1.731	2	118.3776	0.969	41	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ir<7>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|B<4>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.2755	0.120	2	118.3776	0.969	41	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ir<7>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|B<4>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.3480	0.533	2	118.3776	0.969	41	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ir<8>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.8770	0.191	2	118.3776	0.969	41	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ir<9>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|B<4>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.2380	0.188	2	118.3776	0.969	41	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ir<3>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.8395	0.803	4	118.9892	1.433	122	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ir<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.7610	1.124	2	118.9892	1.433	122	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ir<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.8598	1.535	10	118.9892	1.433	122	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ir<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.9022	0.398	4	118.9892	1.433	122	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ir<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	119.2590	0.410	2	118.9892	1.433	122	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ir<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	119.0725	0.682	4	118.9892	1.433	122	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ir<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.9515	1.071	4	118.9892	1.433	122	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ir<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.8548	1.011	12	118.9892	1.433	122	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ir<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	119.1153	1.401	60	118.9892	1.433	122	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ir<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|Ir<6>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	119.0845	0.790	4	118.9892	1.433	122	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ir<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|Ru<7>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	119.1085	0.518	2	118.9892	1.433	122	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ir<7>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.8967	1.134	4	118.9892	1.433	122	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ir<8>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.7095	0.817	4	118.9892	1.433	122	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ir<8>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.4435	1.095	2	118.9892	1.433	122	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ir<9>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.4835	1.065	4	118.9892	1.433	122	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CIrCC)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ir<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CIrCC){1|C<4>,1|H<1>,3|C<3>}	119.1120	0.000	1	119.1120	0.000	1	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CIrHH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ir<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CIrHH){2|C<4>,3|C<3>}	116.3870	0.574	7	116.3870	0.330	7	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ir<6>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]O){1|O<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.6887	1.526	4	118.6887	2.327	4	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Li)(C[5]C[5]B)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Li<4>,1|B<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Li)(C[5]C[5]B){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	119.3215	2.478	2	119.3215	6.143	2	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Li)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Li<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Li)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.2134	0.263	8	118.3758	0.227	16	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Li)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Li<3>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Li)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.4352	0.519	4	118.3758	0.227	16	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Li)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Li<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Li)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.6412	0.732	4	118.3758	0.227	16	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Li)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Li<3>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Li)(C[5]C[5]H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	119.1165	1.132	2	119.0746	0.195	8	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Li)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Li<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Li)(C[5]C[5]H){1|B<4>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	119.0905	0.187	2	119.0746	0.195	8	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Li)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Li<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Li)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	119.0457	0.115	4	119.0746	0.195	8	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Lu)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Lu<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Lu)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.3132	1.725	4	118.3132	2.975	4	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Mg)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Mg<3>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Mg)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.0935	1.337	4	118.0935	1.788	4	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Mn<8>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]C){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.8905	1.836	2	118.8905	3.372	2	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Mn<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.5864	1.058	16	118.5129	1.053	18	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Mn<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.9250	0.557	2	118.5129	1.053	18	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Mn<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.8873	0.518	24	118.6971	0.717	78	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Mn<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	118.6298	0.670	6	118.6971	0.717	78	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Mn<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.9213	0.588	4	118.6971	0.717	78	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Mn<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.6014	0.420	11	118.6971	0.717	78	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Mn<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	118.2160	0.222	2	118.6971	0.717	78	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Mn<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.8940	0.440	6	118.6971	0.717	78	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Mn<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	118.4104	1.553	17	118.6971	0.717	78	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Mn<8>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.9843	0.378	4	118.6971	0.717	78	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Mn<8>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]H){2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.3660	0.369	2	118.6971	0.717	78	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Mn<9>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Mn)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.7790	0.044	2	118.6971	0.717	78	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Mo)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Mo<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Mo)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.3484	0.492	8	118.3484	0.242	8	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Mo)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Mo<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Mo)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.5706	1.308	8	118.5441	1.429	14	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Mo)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Mo<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Mo)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.2685	0.609	2	118.5441	1.429	14	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Mo)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Mo<9>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Mo)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.6290	1.420	4	118.5441	1.429	14	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Nb)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Nb<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Nb)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	118.6386	1.434	8	118.6386	2.055	8	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]C){3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	119.1093	0.193	3	118.9129	1.316	7	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]C){3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.7655	1.594	4	118.9129	1.316	7	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.3196	0.549	27	118.3844	0.618	394	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<3>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.2695	0.774	95	118.3844	0.618	394	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.5253	0.600	20	118.3844	0.618	394	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.4316	0.863	101	118.3844	0.618	394	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|O<2>,3|C<3>}	118.5378	0.560	8	118.3844	0.618	394	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.4550	0.856	43	118.3844	0.618	394	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.3395	1.178	14	118.3844	0.618	394	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<7>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.5900	0.324	2	118.3844	0.618	394	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<7>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.3969	0.727	84	118.3844	0.618	394	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H){2|C<4>,3|C<3>}	118.5533	1.261	4	119.0831	0.673	31	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H){1|C<4>,1|O<2>,3|C<3>}	119.1730	0.382	4	119.0831	0.673	31	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H){2|C<4>,3|C<3>}	119.1643	1.034	12	119.0831	0.673	31	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H){2|C<4>,3|C<3>}	119.4447	0.114	3	119.0831	0.673	31	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<7>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H){1|C<4>,1|O<2>,3|C<3>}	119.0456	0.471	8	119.0831	0.673	31	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.8517	0.366	12	118.8264	0.646	216	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<3>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.9508	0.669	24	118.8264	0.646	216	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.5302	0.480	4	118.8264	0.646	216	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.7938	0.974	36	118.8264	0.646	216	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.7066	0.842	52	118.8264	0.646	216	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){1|Ni<4>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	119.0983	1.103	8	118.8264	0.646	216	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.9528	0.645	12	118.8264	0.646	216	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.6570	0.038	2	118.8264	0.646	216	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<7>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.8254	0.677	18	118.8264	0.646	216	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<7>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|Br<1>,1|C<4>,3|C<3>}	118.7985	1.190	4	118.8264	0.646	216	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<7>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.8735	0.829	44	118.8264	0.646	216	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<4>,1|C<3>,1|N<2>,1|N<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ni)(C[5]N[5]H){1|B<4>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.7367	0.881	6	118.7367	0.777	6	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Os<10>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.3953	1.574	4	118.3328	0.894	42	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Os<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.3489	0.750	8	118.3328	0.894	42	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Os<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.3992	1.035	4	118.3328	0.894	42	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Os<7>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.4727	1.038	12	118.3328	0.894	42	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Os<8>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.3450	0.445	4	118.3328	0.894	42	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Os<9>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.0956	0.988	10	118.3328	0.894	42	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Os<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	119.0826	4.482	14	118.9954	15.408	18	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Os<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.6905	0.298	4	118.9954	15.408	18	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pd<5>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]C){2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H){2|C<4>,3|C<3>}	119.0360	0.464	2	119.0360	0.215	2	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pd<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.2036	0.509	24	118.3529	0.730	329	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.3099	0.717	38	118.3529	0.730	329	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.3720	0.898	239	118.3529	0.730	329	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pd<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.3613	1.007	18	118.3529	0.730	329	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pd<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|B<4>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.1905	0.462	2	118.3529	0.730	329	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pd<7>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.4545	0.781	8	118.3529	0.730	329	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pd<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H){2|C<4>,3|C<3>}	119.3010	0.960	4	119.2502	0.450	16	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H){1|C<4>,1|O<2>,3|C<3>}	119.2750	0.739	4	119.2502	0.450	16	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H){2|C<4>,3|C<3>}	119.2125	0.575	8	119.2502	0.450	16	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pd<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.8221	0.242	8	118.6928	0.571	257	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.7085	0.855	97	118.6928	0.571	257	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	118.3655	0.805	8	118.6928	0.571	257	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.6993	0.693	110	118.6928	0.571	257	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|N<4>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.3642	1.052	4	118.6928	0.571	257	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pd<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.6269	0.795	18	118.6928	0.571	257	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pd<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.8459	0.501	12	118.6928	0.571	257	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pd<4>,1|N<3>,1|N<4>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]N){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.5360	1.015	4	118.5360	1.029	4	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pt<1>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.0386	0.833	20	118.2602	0.775	71	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pt<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.4756	0.588	8	118.2602	0.775	71	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pt<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.2715	1.061	31	118.2602	0.775	71	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pt<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.4571	0.528	12	118.2602	0.775	71	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pt<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H){2|C<4>,3|C<3>}	119.5408	0.209	4	119.4086	0.091	8	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pt<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H){2|C<4>,3|C<3>}	119.2765	0.350	4	119.4086	0.091	8	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pt<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.7036	1.268	8	118.6925	1.820	67	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pt<3>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.4149	1.190	12	118.6925	1.820	67	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pt<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.8312	1.397	39	118.6925	1.820	67	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pt<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.4216	1.552	8	118.6925	1.820	67	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CPtHH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pt<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pt)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CPtHH){2|C<4>,3|C<3>}	115.5570	0.000	1	115.5570	0.000	1	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Re)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Re<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Re)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.4105	0.115	2	118.4105	0.013	2	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Re)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Re<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Re)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.5408	0.460	12	118.5873	0.464	22	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Re)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Re<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Re)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.6432	0.904	10	118.5873	0.464	22	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Rh<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.3762	1.103	18	118.5172	0.888	72	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Rh<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.6765	0.980	28	118.5172	0.888	72	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Rh<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.4433	0.779	26	118.5172	0.888	72	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Rh<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	119.0655	1.029	2	118.7704	0.814	51	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Rh<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	121.3080	0.000	1	118.7704	0.814	51	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Rh<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.7032	0.867	30	118.7704	0.814	51	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Rh<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.6196	0.754	11	118.7704	0.814	51	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Rh<7>,1|N<4>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.9105	0.357	2	118.7704	0.814	51	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Rh<8>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.8232	1.118	5	118.7704	0.814	51	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CRhHH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Rh<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CRhHH){2|C<4>,3|C<3>}	116.6460	0.000	1	116.6460	0.000	1	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Rh<6>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]O){1|O<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.7715	1.565	4	118.7715	2.448	4	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]P)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Rh<6>,1|N<3>,1|P<4>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]P){1|Cl<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.6935	2.016	2	118.6935	4.064	2	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<10>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.3623	0.719	4	118.2702	0.802	81	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.3590	1.402	8	118.2702	0.802	81	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.9001	1.014	14	118.2702	0.802	81	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.0794	0.885	8	118.2702	0.802	81	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<7>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.2185	0.691	8	118.2702	0.802	81	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<8>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.3331	0.689	7	118.2702	0.802	81	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<9>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.4452	0.812	32	118.2702	0.802	81	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H){2|C<4>,3|C<3>}	119.3547	1.034	4	119.3547	1.069	4	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<10>,1|N<4>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	118.7260	0.157	2	118.6863	0.958	190	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.8805	0.611	4	118.6863	0.958	190	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<5>,1|C<2>,1|C<3>,1|N<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.7000	1.203	2	118.6863	0.958	190	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.6366	0.693	18	118.6863	0.958	190	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.5908	0.756	46	118.6863	0.958	190	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.7108	1.183	36	118.6863	0.958	190	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	118.4297	0.975	4	118.6863	0.958	190	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.6557	1.109	34	118.6863	0.958	190	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<7>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.8845	0.060	2	118.6863	0.958	190	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<7>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.6278	0.642	4	118.6863	0.958	190	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<8>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	119.5367	1.626	3	118.6863	0.958	190	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<9>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.5924	1.136	10	118.6863	0.958	190	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<9>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	119.0373	1.262	11	118.6863	0.958	190	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<9>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.6837	1.020	14	118.6863	0.958	190	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHO)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHO){2|C<4>,3|C<3>}	119.6180	0.000	1	119.6180	0.000	1	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CRuHH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CRuHH){2|C<4>,3|C<3>}	117.0650	0.000	1	116.7113	0.125	3	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CRuHH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<8>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CRuHH){1|C<4>,1|H<1>,3|C<3>}	116.7120	0.000	1	116.7113	0.125	3	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CRuHH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<9>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CRuHH){1|C<4>,1|H<1>,3|C<3>}	116.3570	0.000	1	116.7113	0.125	3	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]B)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Se<1>,1|B<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]B){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.2215	0.081	2	118.2215	0.007	2	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Se<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]C){3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.4955	0.356	4	118.3623	0.272	8	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Se<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]C){3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.2290	0.679	4	118.3623	0.272	8	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Se<1>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|B<4>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.9615	0.535	2	118.1172	0.598	66	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Se<1>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.5902	1.089	8	118.1172	0.598	66	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Se<1>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|O<2>,3|C<3>}	118.6743	0.356	4	118.1172	0.598	66	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Se<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.0872	0.449	4	118.1172	0.598	66	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Se<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.0010	0.737	48	118.1172	0.598	66	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Se<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H){1|C<4>,1|O<2>,3|C<3>}	118.6175	1.008	4	118.4933	0.807	8	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Se<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H){2|C<4>,3|C<3>}	118.3690	0.910	4	118.4933	0.807	8	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Se<1>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	119.0030	0.677	2	118.5788	0.503	86	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Se<1>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	118.1963	0.057	4	118.5788	0.503	86	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Se<1>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.5095	0.972	2	118.5788	0.503	86	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Se<1>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.7100	1.124	2	118.5788	0.503	86	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Se<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|B<3>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.6890	0.600	2	118.5788	0.503	86	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Se<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.6501	0.917	22	118.5788	0.503	86	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Se<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|Co<4>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.5165	0.555	2	118.5788	0.503	86	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Se<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|Fe<4>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.5498	0.652	4	118.5788	0.503	86	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Se<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.9485	0.838	2	118.5788	0.503	86	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Se<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.5569	0.710	36	118.5788	0.503	86	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Se<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|Ni<4>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.4613	0.383	4	118.5788	0.503	86	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Se<3>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.4615	0.219	4	118.5788	0.503	86	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Se<1>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Se)(C[5]C[5]O){1|O<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.7155	0.837	2	118.7155	0.700	2	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Si)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Si<3>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Si)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.2700	1.022	4	118.1606	0.476	24	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Si)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Si<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Si)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.0320	1.304	2	118.1606	0.476	24	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Si)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Si<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Si)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.0000	0.532	8	118.1606	0.476	24	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Si)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Si<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Si)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.1985	0.900	2	118.1606	0.476	24	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Si)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Si<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Si)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.2891	0.644	8	118.1606	0.476	24	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Sn)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Sn<1>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Sn)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.1642	0.912	4	117.9375	0.967	24	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Sn)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Sn<3>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Sn)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.8921	1.013	20	117.9375	0.967	24	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Sr)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Sr<7>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Sr)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.7903	0.362	3	118.8596	0.081	5	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Sr)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Sr<9>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Sr)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.9635	0.168	2	118.8596	0.081	5	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ta)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ta<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ta)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.6365	0.668	8	117.6365	0.447	8	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ta)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ta<7>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ta)(C[5]C[5]H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.7632	0.714	8	118.7632	0.509	8	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Th)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Th<14>,1|N<4>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Th)(C[5]C[5]H){1|B<5>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.8404	0.987	16	118.8436	0.879	40	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Th)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Th<17>,1|N<4>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Th)(C[5]C[5]H){1|B<5>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.8446	1.101	16	118.8436	0.879	40	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Th)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Th<18>,1|N<4>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Th)(C[5]C[5]H){1|B<5>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.8478	0.460	8	118.8436	0.879	40	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ti)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ti<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ti)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.7142	0.871	12	118.6493	0.706	14	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ti)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ti<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ti)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.2595	0.694	2	118.6493	0.706	14	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Zn)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Zn<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Zn)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.1457	0.969	4	118.2375	0.424	16	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Zn)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Zn<3>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Zn)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.3166	0.552	8	118.2375	0.424	16	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Zn)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Zn<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Zn)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.1710	0.659	4	118.2375	0.424	16	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Zn)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Zn<3>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Zn)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.3375	0.422	2	118.6868	0.321	36	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Zn)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Zn<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Zn)(C[5]C[5]H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	119.2177	0.260	4	118.6868	0.321	36	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Zn)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Zn<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Zn)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.4880	0.173	2	118.6868	0.321	36	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Zn)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Zn<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Zn)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.6500	0.588	28	118.6868	0.321	36	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Zr)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Zr<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Zr)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.3005	0.891	8	118.5252	0.799	12	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Zr)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Zr<9>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Zr)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.9745	0.820	4	118.5252	0.799	12	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]C)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]C)(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|Ir<6>,1|C<4>,3|C<3>}	122.9430	0.000	1	127.5403	4.204	7	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]C)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]C)(N[5]C[5]2){2|C<3>,2|H<1>,2|N<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|Ir<6>,1|C<4>,3|C<3>}	128.3065	0.337	6	127.5403	4.204	7	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]C)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]C)(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Os)(C[5]C[5]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Os<9>,1|H<1>,3|C<3>}	126.1000	0.000	1	126.1000	0.000	1	118.5047	0.966	5573	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NIrHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|Ir<8>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ir)(C[5]C[5]H){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NIrHH){2|H<1>,3|C<3>}	118.3640	0.000	1	118.3640	0.000	1	118.2498	0.235	5	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NRhHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|Rh<8>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NRhHH){2|H<1>,3|C<3>}	117.7690	0.308	2	117.7690	0.095	2	118.2498	0.235	5	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NRuHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|Ru<9>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NRuHH){2|H<1>,3|C<3>}	118.6735	0.095	2	118.6735	0.009	2	118.2498	0.235	5	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(N[5]C[5]2){1|Rh<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2C){2|H<1>,3|C<3>}	120.0350	0.000	1	119.8325	0.082	2	121.3915	3.300	4	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(N[5]C[5]2){1|Rh<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Rh)(C[5]C[5]H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2C){2|H<1>,3|C<3>}	119.6300	0.000	1	119.8325	0.082	2	121.3915	3.300	4	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Ru)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(N[5]C[5]2){1|Ru<8>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ru)(C[5]C[5]H){1|P<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Ru){2|H<1>,3|C<3>}	122.9505	0.312	2	122.9505	0.097	2	121.3915	3.300	4	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(SO3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(SO3){1|C<4>,1|H<1>,3|C<3>}	120.7600	0.000	1	120.7600	0.000	1	121.4563	0.964	3	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(SO3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[5]C[5]2){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]Pd)(C[5]C[5]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(SO3){1|C<4>,1|H<1>,3|C<3>}	121.8045	1.095	2	121.8045	1.200	2	121.4563	0.964	3	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	B[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](B[5]C[5x3,6x5,20x6]C[5])(C[5]C[5x3,6x5,20x6]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|C<4>,2|C<3>,2|C<6>,2|H<1>}	N[5](B[5]C[5x3,6x5,20x6]C[5])(C[5]C[5x3,6x5,20x6]C)(C[6a]C[6a]2){2|C<3>,2|C<4>,2|N<3>,6|B<6>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	119.3312	0.638	4	119.3312	0.407	4	119.3312	0.407	4	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	B[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](B[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Cl)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](B[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Cl){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	117.6035	0.484	2	117.6035	0.235	2	117.6435	3.115	4	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	B[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](B[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Cl)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](B[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]Cl){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	117.6835	3.017	2	117.6835	9.104	2	117.6435	3.115	4	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-3:Ge[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5,6]Ge[5])(C[6a]C[6a]C)2	N[5](C[5,5,6]C[5,5,6]2)(Ge[5]P[5,5]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,5,6]Ge[5])(C[6a]C[6a]C)2{1|C<4>,1|P<4>,2|H<1>,3|C<3>}	N[5](C[5,5,6]C[5,5,6]2)(Ge[5]P[5,5]C[6a])(C[6a]C[6a]2){1|H<1>,2|N<3>,4|C<3>,5|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|C<4>,1|H<1>,2|C<3>}	119.4570	0.035	2	119.4570	0.001	2	119.4570	0.001	2	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,5]P[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2{1|N<3>,1|P<2>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,5]P[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|P<2>,1|P<3>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.3043	0.870	12	118.2651	0.720	14	118.2651	0.720	14	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,5]P[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2{1|N<3>,1|P<2>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,5]P[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){2|C<4>,2|P<2>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.0305	0.948	2	118.2651	0.720	14	118.2651	0.720	14	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,5]C[5,6])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2{1|Pd<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,5]C[5,6])(C[6a]C[6a]2)(C[5]N[5]Pd){2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.3210	1.574	2	118.3210	2.478	2	118.2533	0.951	56	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|N<3>,1|P<3>,2|C<3>,5|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.3015	1.630	2	118.3015	2.657	2	118.2533	0.951	56	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,5]S[5])(C[6a]C[6a]2)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2{1|N<3>,1|S<1>,1|S<2>,2|C<3>,2|H<1>}	N[5](C[5,5]C[5,5]S[5])(C[6a]C[6a]2)(C[5]N[5]S){1|Ge<5>,1|S<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.2987	0.417	8	118.2987	0.174	8	118.2533	0.951	56	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]N[5]Ir)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2{1|Ir<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]N[5]Ir){2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.7330	0.987	2	118.2025	2.507	6	118.2533	0.951	56	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]N[5]Ir)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2{1|Ir<6>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]N[5]Ir){2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.4373	1.906	4	118.2025	2.507	6	118.2533	0.951	56	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]N[5]Ni)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]CH)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2{1|Ni<7>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]N[5]Ni){2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]CH){2|C<4>,3|C<3>}	118.8465	0.585	4	118.8465	0.342	4	118.2533	0.951	56	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2{1|Pd<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]N[5]Pd){2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.9477	1.131	16	117.9477	1.279	16	118.2533	0.951	56	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2{1|Pd<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]N[5]Pd){2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH){1|C<4>,1|H<1>,3|C<3>}	117.6840	0.711	4	117.6840	0.506	4	118.2533	0.951	56	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2{1|Pd<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]N[5]Pd){2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H){1|C<4>,1|O<2>,3|C<3>}	119.1265	0.211	2	118.9967	0.038	4	118.2533	0.951	56	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2{1|Pd<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]N[5]Pd){2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]2H){2|C<4>,3|C<3>}	118.8670	0.033	2	118.9967	0.038	4	118.2533	0.951	56	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]N[5]Rh)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2{1|Rh<6>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]N[5]Rh){2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.8390	0.738	4	117.8390	0.545	4	118.2533	0.951	56	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2	N[5](C[5,5]N[5,5]B[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2{1|B<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,5]N[5,5]B[5])(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.7843	0.474	6	118.7843	0.225	6	118.2533	0.951	56	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[6a]-3:Ga[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(Ga[5]N[5]Mo)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2{1|Mo<6>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(Ga[5]N[5]Mo){2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<3>,1|C<4>,1|H<1>,2|C<3>}	118.6460	0.781	2	118.6460	0.609	2	119.2932	0.457	6	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[6a]-3:Ga[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(Ga[5]N[5]P)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2{1|N<3>,1|P<2>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(Ga[5]N[5]P){2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<3>,1|C<4>,1|H<1>,2|C<3>}	119.6167	0.373	4	119.6167	0.139	4	119.2932	0.457	6	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[6a]-3:P[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5]P[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(P[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5,5]P[5])(C[6a]C[6a]C)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(P[5]C[5]O){1|N<3>,3|C<3>,5|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|P<3>,2|C<3>,2|C<4>}	118.7230	1.672	2	118.7230	2.794	2	118.7230	2.794	2	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2	N[5](C[5,6]C[5,6]Ge[6])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2{1|Ge<2>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6]C[5,6]Ge[6])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Ge<2>,2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.4278	0.813	8	118.4278	0.660	8	118.4278	0.660	8	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]Co)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2{1|Co<5>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]Co){2|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.9348	1.698	4	118.9348	2.883	4	118.3894	0.697	78	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]Cr)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2{1|Cr<6>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]Cr){1|O<1>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.4172	0.504	4	118.4172	0.254	4	118.3894	0.697	78	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]Fe)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2{1|Fe<3>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]Fe){2|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH){1|C<4>,1|H<1>,3|C<3>}	118.3753	1.083	14	118.3753	1.172	14	118.3894	0.697	78	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2{1|N<3>,3|C<3>,3|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]H){1|O<1>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.1190	0.283	2	118.1190	0.080	2	118.3894	0.697	78	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]Ir)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2{1|Ir<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]Ir){1|O<1>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.5190	0.882	4	118.3143	0.646	6	118.3894	0.697	78	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]Ir)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2{1|Ir<6>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]Ir){1|O<1>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	117.9050	0.625	2	118.3143	0.646	6	118.3894	0.697	78	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]Ni)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2{1|Ni<7>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]Ni){1|O<1>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.4447	1.345	4	118.4447	1.808	4	118.3894	0.697	78	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2{1|Pd<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]Pd){1|O<1>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	119.0580	0.709	2	119.0580	0.502	2	118.3894	0.697	78	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]Pt)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2{1|Pt<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]Pt){1|O<1>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.4360	1.748	2	118.4360	3.055	2	118.3894	0.697	78	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]W)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2{1|N<3>,1|W<6>,2|H<1>,3|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]W){1|O<1>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.3498	0.686	4	118.3498	0.471	4	118.3894	0.697	78	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2	N[5](C[5,6]N[5,6]B[6])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2{1|B<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,6]N[5,6]B[6])(C[6a]C[6a]2)(C[5]C[5]C){1|O<2>,2|C<3>,6|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.8300	0.710	2	118.8300	0.504	2	118.3894	0.697	78	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2	N[5](C[5,6]N[5,6]B[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2{1|B<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,6]N[5,6]B[6])(C[6a]C[6a]2)(C[5]C[5]H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.4345	0.684	2	118.4345	0.468	2	118.3894	0.697	78	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2	N[5](C[5,6]N[5,6]B[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2{1|B<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,6]N[5,6]B[6])(C[6a]C[6a]2)(C[5]C[5]H){1|N<4>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.5630	0.670	2	118.5630	0.449	2	118.3894	0.697	78	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2{1|Ge<3>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H){1|Cl<1>,1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.9385	0.451	4	118.0794	0.289	20	118.3894	0.697	78	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2{1|Ge<3>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H){1|Ga<4>,1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.1748	0.522	4	118.0794	0.289	20	118.3894	0.697	78	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2{1|Ge<3>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,1|N<2>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.0730	0.629	4	118.0794	0.289	20	118.3894	0.697	78	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2{1|Ge<3>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H){1|Se<2>,1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.0540	0.183	4	118.0794	0.289	20	118.3894	0.697	78	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2{1|Ge<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,1|S<1>,1|S<2>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.2895	0.083	2	118.0794	0.289	20	118.3894	0.697	78	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2{1|Ge<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H){1|Se<1>,1|Se<2>,1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.0240	1.601	2	118.0794	0.289	20	118.3894	0.697	78	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2{1|Ge<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.3630	0.720	2	118.5221	0.380	8	118.3894	0.697	78	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2{1|Ge<3>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.5528	0.748	4	118.5221	0.380	8	118.3894	0.697	78	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2{1|Ge<3>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,6]N[5,6]Ge[6])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.6200	0.625	2	118.5221	0.380	8	118.3894	0.697	78	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2	N[5](C[5,6]N[5,6]N[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,6]N[5,6]N[6])(C[6a]C[6a]2)(C[5]C[5]H){1|Si<4>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	119.0005	0.409	2	119.0005	0.168	2	118.3894	0.697	78	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6a]B[5])(C[6a]C[6a]C)2	N[5](C[5,6a]C[5,6a]C[6a])(B[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,6a]B[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(B[5]C[5]N[5])(C[6a]C[6a]2){3|H<1>,4|C<3>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	119.2290	0.144	2	119.2290	0.021	2	119.2290	0.021	2	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Pt<4>,1|H<1>,2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.1545	0.352	4	118.1545	0.124	4	118.1545	0.124	4	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6a]B[5])(C[6a]C[6a]C)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(B[5]C[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,6a]B[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(B[5]C[5]N){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	119.2370	0.571	2	119.2370	0.326	2	119.2370	0.326	2	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Rh)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Rh<6>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Rh){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	119.7415	0.238	2	119.7415	0.057	2	118.4163	0.871	46	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]N[5]Rh)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Rh<6>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]N[5]Rh){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	118.7865	0.120	2	118.7865	0.014	2	118.4163	0.871	46	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)2{1|N<3>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	117.7670	0.420	4	117.7670	0.176	4	118.4163	0.871	46	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)2{1|N<3>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.1047	0.755	4	118.2010	0.880	6	118.4163	0.871	46	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)2{1|N<3>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H){1|H<1>,3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.3935	1.607	2	118.2010	0.880	6	118.4163	0.871	46	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)2{1|Ir<6>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.5812	1.218	4	118.5812	1.483	4	118.4163	0.871	46	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)2{1|Ir<5>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.5470	0.873	12	118.6350	1.119	16	118.4163	0.871	46	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)2{1|Ir<6>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ir){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.8990	1.637	4	118.6350	1.119	16	118.4163	0.871	46	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ni)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)2{1|Ni<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ni){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.2375	0.343	4	118.1608	0.534	8	118.4163	0.871	46	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ni)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)2{1|Ni<6>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Ni){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.0840	1.055	4	118.1608	0.534	8	118.4163	0.871	46	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)2{1|Pd<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	118.0125	0.687	4	118.0125	0.472	4	118.4163	0.871	46	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Ga[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6a]Ga[5])(C[6a]C[6a]C)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(Ga[5]N[5]Fe)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,6a]Ga[5])(C[6a]C[6a]C)2{1|Fe<5>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(Ga[5]N[5]Fe){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<3>,1|C<4>,1|H<1>,2|C<3>}	119.6400	1.078	2	119.6400	1.161	2	119.6400	1.161	2	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:Ge[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ge[5]C[5])(C[6a]C[6a]C)2	N[5](C[5]N[5,5]C[6a])(Ge[5]C[5,5]I)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ge[5]C[5])(C[6a]C[6a]C)2{1|C<4>,1|I<1>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]N[5,5]C[6a])(Ge[5]C[5,5]I)(C[6a]C[6a]2){1|N<3>,2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|C<4>,1|H<1>,2|C<3>}	119.2698	0.795	4	119.2698	0.632	4	119.2698	0.632	4	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[5]C[5,6a]Rh)(N[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|Rh<6>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]Rh)(N[5]C[5,6a]C)(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.5512	1.233	4	117.5512	1.521	4	117.5512	1.521	4	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:B[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(B[5]C[5]N)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(B[5]C[5]N)(C[5]C[5]C){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	119.8495	1.108	2	119.8495	1.228	2	118.6594	0.726	16	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:B[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(B[5]C[5]O)(C[5]C[5]B)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|B<3>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(B[5]C[5]O)(C[5]C[5]B){2|Si<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	119.1335	0.305	2	118.8071	0.583	8	118.6594	0.726	16	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:B[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(B[5]C[5]O)(C[5]C[5]B)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|B<3>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(B[5]C[5]O)(C[5]C[5]B){2|Si<4>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	119.6805	0.250	2	118.8071	0.583	8	118.6594	0.726	16	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:B[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(B[5]C[5]O)(C[5]C[5]B)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|B<4>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(B[5]C[5]O)(C[5]C[5]B){2|Si<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	118.2073	0.499	4	118.8071	0.583	8	118.6594	0.726	16	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:B[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(B[5]N[5]Br)(C[5]C[5]B)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|Br<1>,1|B<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5](C[6a]C[6a]2)(B[5]N[5]Br)(C[5]C[5]B){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	118.1765	0.013	2	118.1765	0.000	2	118.6594	0.726	16	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:B[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(B[5]N[5]Br)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|Br<1>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N[5](C[6a]C[6a]2)(B[5]N[5]Br)(C[5]C[5]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	117.8260	0.098	2	117.8260	0.010	2	118.6594	0.726	16	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:B[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(B[5]N[5]O)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<3>}	N[5](C[6a]C[6a]2)(B[5]N[5]O)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	118.1950	0.530	2	118.1950	0.281	2	118.6594	0.726	16	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](C[6a]C[6a]2)(C[5]C[5]P)(N[5]N[5]W)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2W)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<2>,1|P<3>,1|W<6>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]P)(N[5]N[5]W){1|H<1>,1|P<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2W){1|N<3>,2|C<3>,2|H<1>}	120.2900	0.000	1	120.6320	0.234	2	120.6320	0.234	2	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](C[6a]C[6a]2)(C[5]C[5]P)(N[5]N[5]W)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2W)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<2>,1|P<4>,1|W<6>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]P)(N[5]N[5]W){1|H<1>,1|P<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2W){1|N<3>,2|C<3>,2|H<1>}	120.9740	0.000	1	120.6320	0.234	2	120.6320	0.234	2	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:P[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(P[5]N[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(P[5]N[5]N){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	119.0805	0.808	4	119.0805	0.653	4	119.1927	0.458	6	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:P[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(P[5]N[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(P[5]N[5]O){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	119.4170	0.426	2	119.4170	0.181	2	119.1927	0.458	6	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Ga[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(Ga[5]N[5]Ca)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2{1|Ca<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(Ga[5]N[5]Ca)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<3>,1|C<4>,1|H<1>,2|C<3>}	120.1690	0.959	4	120.1690	0.919	4	119.8314	0.455	138	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Ga[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(Ga[5]N[5]Cd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2{1|Cd<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(Ga[5]N[5]Cd)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<3>,1|C<4>,1|H<1>,2|C<3>}	119.3670	0.597	8	119.3670	0.356	8	119.8314	0.455	138	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Ga[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(Ga[5]N[5]Cr)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2{1|Cr<11>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(Ga[5]N[5]Cr)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<3>,1|C<4>,1|H<1>,2|C<3>}	119.7578	1.513	4	119.7578	2.288	4	119.8314	0.455	138	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Ga[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(Ga[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2{1|Ir<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(Ga[5]N[5]Ir)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<3>,1|C<4>,1|H<1>,2|C<3>}	119.8620	0.274	4	119.8620	0.075	4	119.8314	0.455	138	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Ga[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(Ga[5]N[5]Mg)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2{1|Mg<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(Ga[5]N[5]Mg)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<3>,1|C<4>,1|H<1>,2|C<3>}	120.1068	0.397	4	119.9162	0.196	12	119.8314	0.455	138	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Ga[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(Ga[5]N[5]Mg)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2{1|Mg<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(Ga[5]N[5]Mg)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<3>,1|C<4>,1|H<1>,2|C<3>}	119.8209	0.457	8	119.9162	0.196	12	119.8314	0.455	138	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Ga[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(Ga[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2{1|Ni<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(Ga[5]N[5]Ni)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<3>,1|C<4>,1|H<1>,2|C<3>}	119.7814	0.586	16	119.7814	0.343	16	119.8314	0.455	138	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Ga[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(Ga[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2{1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(Ga[5]N[5]Pd)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<3>,1|C<4>,1|H<1>,2|C<3>}	119.9460	0.564	20	119.9460	0.318	20	119.8314	0.455	138	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Ga[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(Ga[5]N[5]Pt)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2{1|Pt<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(Ga[5]N[5]Pt)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<3>,1|C<4>,1|H<1>,2|C<3>}	119.9800	0.743	28	119.9009	0.571	32	119.8314	0.455	138	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Ga[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(Ga[5]N[5]Pt)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2{1|Pt<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(Ga[5]N[5]Pt)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<3>,1|C<4>,1|H<1>,2|C<3>}	119.3468	0.687	4	119.9009	0.571	32	119.8314	0.455	138	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Ga[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(Ga[5]N[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2{1|Rh<6>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(Ga[5]N[5]Rh)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<3>,1|C<4>,1|H<1>,2|C<3>}	119.9638	0.338	4	119.9638	0.114	4	119.8314	0.455	138	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Ga[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(Ga[5]N[5]Sn)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2{1|Sn<3>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(Ga[5]N[5]Sn)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<3>,1|C<4>,1|H<1>,2|C<3>}	119.7652	0.799	18	119.7522	0.615	22	119.8314	0.455	138	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Ga[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(Ga[5]N[5]Sn)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2{1|Sn<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(Ga[5]N[5]Sn)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<3>,1|C<4>,1|H<1>,2|C<3>}	119.6937	0.825	4	119.7522	0.615	22	119.8314	0.455	138	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Ga[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(Ga[5]N[5]V)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2{1|V<11>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(Ga[5]N[5]V)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<3>,1|C<4>,1|H<1>,2|C<3>}	119.9522	0.596	4	119.9522	0.355	4	119.8314	0.455	138	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Ga[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(Ga[5]N[5]Zn)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2{1|Zn<3>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(Ga[5]N[5]Zn)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<3>,1|C<4>,1|H<1>,2|C<3>}	119.5315	0.532	4	119.6483	0.201	8	119.8314	0.455	138	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Ga[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(Ga[5]N[5]Zn)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2{1|Zn<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(Ga[5]N[5]Zn)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<3>,1|C<4>,1|H<1>,2|C<3>}	119.7650	0.388	4	119.6483	0.201	8	119.8314	0.455	138	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Ge[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ge[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(Ge[5]P[5]Cl)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ge[5]C[5])(C[6a]C[6a]C)2{1|Cl<1>,1|C<4>,1|P<4>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(Ge[5]P[5]Cl)(C[5]C[5]C){2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|C<4>,1|H<1>,2|C<3>}	119.4040	1.417	2	119.4040	2.008	2	119.4040	2.008	2	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(N[5]C[5]Cu)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CF3)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Cu<4>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(N[5]C[5]Cu)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CF3){1|N<3>,2|C<3>,2|H<1>}	121.0710	0.006	2	121.0710	0.000	2	119.2534	1.543	8	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(N[5]C[5]Cu)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Cu<4>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(N[5]C[5]Cu)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	118.8080	0.791	2	118.8080	0.625	2	119.2534	1.543	8	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(N[5]C[5]Ti)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]HH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{1|Ti<6>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ti)(C[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>}	118.5673	0.656	4	118.5673	0.431	4	119.2534	1.543	8	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[6a]C[6a]2)(N[5]C[5]Re)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]ReC)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Re<6>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Re)(C[5]C[5]H){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]ReC){1|N<3>,2|C<3>,2|H<1>}	122.8855	3.389	2	122.8855	11.486	2	122.0700	4.983	6	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[6a]C[6a]2)(N[5]C[5]Re)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]ReH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Re<6>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Re)(C[5]C[5]H){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]ReH){1|N<3>,2|C<3>,2|H<1>}	121.1430	0.000	1	121.6623	3.810	4	122.0700	4.983	6	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[6a]C[6a]2)(N[5]C[5]Re)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]ReH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Re<6>,1|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(N[5]C[5]Re)(C[5]C[5]H){1|N<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]ReH){1|N<3>,2|C<3>,2|H<1>}	121.8353	2.353	3	121.6623	3.810	4	122.0700	4.983	6	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](C[6a]C[6a]2)(N[5]C[5]Cu)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Cu)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Cu<4>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(N[5]C[5]Cu)(C[5]C[5]H){1|P<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Cu){1|N<3>,2|C<3>,2|H<1>}	123.1568	0.847	4	123.1568	0.717	4	122.1223	1.601	8	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Ir)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Ir<4>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H){1|P<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Ir){1|N<3>,2|C<3>,2|H<1>}	121.4710	0.000	1	121.4385	0.002	2	122.1223	1.601	8	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Ir)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Ir<6>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(N[5]C[5]Ir)(C[5]C[5]H){1|P<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Ir){1|N<3>,2|C<3>,2|H<1>}	121.4060	0.000	1	121.4385	0.002	2	122.1223	1.601	8	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](C[6a]C[6a]2)(N[5]C[5]Rh)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Rh)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Rh<4>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(N[5]C[5]Rh)(C[5]C[5]H){1|P<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Rh){1|N<3>,2|C<3>,2|H<1>}	120.6990	0.000	1	120.6990	0.000	1	122.1223	1.601	8	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](C[6a]C[6a]2)(N[5]N[5]Ru)(C[5]C[5]P)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Ru)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Ru<9>,1|N<2>,1|P<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(N[5]N[5]Ru)(C[5]C[5]P){1|H<1>,1|P<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Ru){1|N<3>,2|C<3>,2|H<1>}	120.7750	0.000	1	120.7750	0.000	1	122.1223	1.601	8	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(P[5]N[5]Br)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|Br<1>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N[5](C[6a]C[6a]2)(P[5]N[5]Br)(C[5]N[5]C){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	118.8337	1.383	4	118.8337	1.913	4	119.0830	0.824	26	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(P[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|Fe<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(P[5]N[5]Fe)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	118.8825	0.584	8	118.7844	0.599	12	119.0830	0.824	26	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(P[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|Fe<5>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(P[5]N[5]Fe)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	118.5883	1.149	4	118.7844	0.599	12	119.0830	0.824	26	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(P[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|Pd<3>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(P[5]N[5]Pd)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|P<3>,2|C<3>,2|C<4>}	119.9825	0.890	4	119.9825	0.792	4	119.0830	0.824	26	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(P[5]N[5]Pt)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|Pt<3>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(P[5]N[5]Pt)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	119.1375	0.484	4	119.1375	0.234	4	119.0830	0.824	26	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(P[5]P[5]Cl)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|Cl<1>,1|C<4>,1|P<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(P[5]P[5]Cl)(C[5]C[5]C){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	119.4655	0.593	2	119.4655	0.352	2	119.0830	0.824	26	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Ga[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2	N[5](Ga[5]Ga[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2{1|Ga<3>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](Ga[5]Ga[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C){2|N<3>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<3>,1|C<4>,1|H<1>,2|C<3>}	120.0740	0.507	5	120.0740	0.257	5	119.8171	0.399	9	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Ga[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2	N[5](Ga[5]Ge[4]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2{1|Ge<3>,1|N<3>,2|C<3>,3|H<1>}	N[5](Ga[5]Ge[4]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<3>,1|C<4>,1|H<1>,2|C<3>}	119.4960	0.689	4	119.4960	0.475	4	119.8171	0.399	9	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Ge[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ge[5]C[5])(C[6a]C[6a]C)2	N[5](Ge[5]C[5,6a]Cl)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ge[5]C[5])(C[6a]C[6a]C)2{1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	N[5](Ge[5]C[5,6a]Cl)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|C<4>,1|H<1>,2|C<3>}	118.7995	0.791	4	118.7995	0.626	4	118.9371	0.665	8	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Ge[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ge[5]C[5])(C[6a]C[6a]C)2	N[5](Ge[5]C[5,6a]Ge[5])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ge[5]C[5])(C[6a]C[6a]C)2{1|Ge<3>,1|C<4>,2|H<1>,3|C<3>}	N[5](Ge[5]C[5,6a]Ge[5])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|N<3>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|C<4>,1|H<1>,2|C<3>}	119.0747	0.936	4	119.0747	0.875	4	118.9371	0.665	8	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Ge[5]-3:C[6a]-3:B[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ge[5]B[5])(C[6a]C[6a]C)2	N[5](Ge[5]Ge[3,3,5]C)(C[6a]C[6a]2)(B[5]N[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]Ge[5]B[5])(C[6a]C[6a]C)2{1|Ge<5>,1|C<2>,1|C<3>,2|H<1>,2|N<3>}	N[5](Ge[5]Ge[3,3,5]C)(C[6a]C[6a]2)(B[5]N[5]N){1|B<4>,2|C<4>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|Ge<3>,1|B<3>,1|C<3>,1|C<4>,1|H<1>}	119.9370	0.593	4	119.9370	0.352	4	119.9370	0.352	4	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Ge[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ge[5]C[5])(C[6a]C[6a]C)2	N[5](Ge[5]Ge[6]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ge[5]C[5])(C[6a]C[6a]C)2{1|Ge<3>,1|C<4>,2|H<1>,3|C<3>}	N[5](Ge[5]Ge[6]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|H<1>,2|C<3>,2|N<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|C<4>,1|H<1>,2|C<3>}	119.1140	1.789	2	119.1140	3.200	2	119.1140	3.200	2	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)2{3|H<1>,4|C<3>}	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	118.3850	2.320	4	118.3850	5.383	4	118.3850	5.383	4	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	P[5,5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]P[5,5]C[5])(C[6a]C[6a]C)2	N[5](P[5,5]N[5,5,6]N[5])(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]P[5,5]C[5])(C[6a]C[6a]C)2{2|H<1>,2|N<3>,3|C<3>}	N[5](P[5,5]N[5,5,6]N[5])(C[5]C[5,6]C[6a])(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	118.5480	1.177	4	118.5480	1.386	4	118.5480	1.386	4	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	P[5,5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]P[5,5]C[5])(C[6a]C[6a]C)2	N[5](P[5,5]P[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]P[5,5]C[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|P<3>,2|C<3>,2|H<1>}	N[5](P[5,5]P[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	119.2945	1.269	2	119.2945	1.611	2	119.2945	1.611	2	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](P[5]B[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|B<3>,1|N<3>,2|C<3>,3|H<1>}	N[5](P[5]B[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	120.0212	3.581	4	120.0212	12.820	4	119.7853	2.170	22	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](P[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](P[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	119.5715	0.768	4	119.5715	0.590	4	119.7853	2.170	22	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](P[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](P[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,3|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|P<3>,2|C<3>,2|C<4>}	119.9620	0.637	4	119.9049	0.456	8	119.7853	2.170	22	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](P[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](P[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Li<7>,1|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|P<3>,2|C<3>,2|C<4>}	119.8477	0.807	4	119.9049	0.456	8	119.7853	2.170	22	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](P[5]C[6a]P[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|C<4>,1|P<3>,2|H<1>,3|C<3>}	N[5](P[5]C[6a]P[5])(C[6a]C[6a]2)(C[5]C[5]C){2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	119.1660	0.072	2	119.1660	0.005	2	119.7853	2.170	22	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](P[5]N[5]P[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|N<3>,1|P<3>,2|C<3>,3|H<1>}	N[5](P[5]N[5]P[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|P<3>,2|C<3>,2|C<4>}	119.8338	0.529	4	119.8338	0.280	4	119.7853	2.170	22	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	S[5,5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]S[5,5]C[5])(C[6a]C[6a]C)2	N[5](S[5,5]N[5,5,6]N[5])(C[5]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]S[5,5]C[5])(C[6a]C[6a]C)2{2|C<3>,2|N<3>,3|H<1>}	N[5](S[5,5]N[5,5,6]N[5])(C[5]C[5,6]H)(C[6a]C[6a]2){2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|S<3>,2|C<3>}	117.9890	0.430	2	117.9890	0.185	2	117.9890	0.185	2	118.5637	1.120	6476	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F)	C[6a](C[6a]C[6a]F)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|F<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	121.3917	0.695	6	121.3917	0.483	6	121.3917	0.483	6	120.2642	2.239	103	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CO)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CO){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	117.3800	0.000	1	117.3800	0.000	1	120.2773	2.102	60	120.2642	2.239	103	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]O[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]O[5]CC){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	121.7600	0.000	1	121.7600	0.000	1	120.2773	2.102	60	120.2642	2.239	103	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,3|C<3>}	119.1880	0.000	1	119.7815	0.704	2	120.2773	2.102	60	120.2642	2.239	103	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|S<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|S<3>,3|C<3>}	120.3750	0.000	1	119.7815	0.704	2	120.2773	2.102	60	120.2642	2.239	103	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[3,5]O)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N[5](C[5]C[3,5]O)(C[6a]C[6a]2)(C[5]C[5]HH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	120.6740	0.970	2	120.6740	0.941	2	120.2773	2.102	60	120.2642	2.239	103	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.4105	3.600	2	120.4105	12.959	2	120.2773	2.102	60	120.2642	2.239	103	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|Co<5>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.7807	1.016	6	119.7807	1.033	6	120.2773	2.102	60	120.2642	2.239	103	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.4570	0.725	2	120.4570	0.526	2	120.2773	2.102	60	120.2642	2.239	103	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.2390	0.820	2	120.2390	0.673	2	120.2773	2.102	60	120.2642	2.239	103	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.5910	2.017	2	120.3100	2.059	40	120.2773	2.102	60	120.2642	2.239	103	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.3077	2.063	6	120.3100	2.059	40	120.2773	2.102	60	120.2642	2.239	103	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.8810	1.385	2	120.3100	2.059	40	120.2773	2.102	60	120.2642	2.239	103	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|Ni<4>,1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.3215	0.754	2	120.3100	2.059	40	120.2773	2.102	60	120.2642	2.239	103	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|Ni<4>,1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	120.4830	1.062	10	120.3100	2.059	40	120.2773	2.102	60	120.2642	2.239	103	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|Pd<4>,1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.1447	1.641	10	120.3100	2.059	40	120.2773	2.102	60	120.2642	2.239	103	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|Pd<4>,1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.5685	2.485	2	120.3100	2.059	40	120.2773	2.102	60	120.2642	2.239	103	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|Pd<4>,1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	120.1642	1.267	4	120.3100	2.059	40	120.2773	2.102	60	120.2642	2.239	103	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|Pd<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	120.4480	1.655	2	120.3100	2.059	40	120.2773	2.102	60	120.2642	2.239	103	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]O[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,1|N<2>,1|O<2>,3|C<3>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]O[5]CC){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	119.9110	0.000	1	119.9110	0.000	1	120.2773	2.102	60	120.2642	2.239	103	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]O[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|N<2>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]O[5]CC){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	123.3770	0.000	1	123.3770	0.000	1	120.2773	2.102	60	120.2642	2.239	103	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]N[5,5]S[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|S<2>,4|H<1>}	N[5](C[5,5]N[5,5]S[5])(C[6a]C[6a]2)(C[5]C[5]HH){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.5238	2.277	4	120.5238	5.186	4	120.5238	5.186	4	120.2642	2.239	103	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]CC){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	119.9745	1.199	2	119.9745	1.437	2	119.8607	2.543	12	120.2642	2.239	103	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	120.5670	1.215	2	120.5670	1.476	2	119.8607	2.543	12	120.2642	2.239	103	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]N[6])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[5,6]C[5,6]N[6])(C[6a]C[6a]2)(C[5]C[5]HH){1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	122.0930	0.301	2	122.0930	0.091	2	119.8607	2.543	12	120.2642	2.239	103	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]N[6])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[5,6]C[5,6]N[6])(C[6a]C[6a]2)(C[5]C[5]HH){1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	118.0075	0.233	2	118.0075	0.054	2	119.8607	2.543	12	120.2642	2.239	103	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6,6a]N[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[5,6]C[6,6a]N[5,6])(C[6a]C[6a]2)(C[5]C[5]HH){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	119.6235	0.460	2	119.6235	0.212	2	119.8607	2.543	12	120.2642	2.239	103	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]N[5,6]N[6])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|N<3>,4|H<1>}	N[5](C[5,6]N[5,6]N[6])(C[6a]C[6a]2)(C[5]C[5]HH){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	118.8985	2.210	2	118.8985	4.883	2	119.8607	2.543	12	120.2642	2.239	103	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:B[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]B[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(B[5]P[5]FF)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]B[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|P<4>,2|F<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(B[5]P[5]FF){1|P<3>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|P<3>,2|C<3>}	118.5460	0.000	1	118.5460	0.000	1	118.5460	0.000	1	120.2642	2.239	103	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	117.9940	0.000	1	117.9940	0.000	1	120.2449	2.380	19	120.2642	2.239	103	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	118.9760	0.000	1	118.9760	0.000	1	120.2449	2.380	19	120.2642	2.239	103	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]HH){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.6930	0.000	1	121.6930	0.000	1	120.2449	2.380	19	120.2642	2.239	103	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CN)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CN){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.7090	1.826	2	119.7090	3.333	2	120.2449	2.380	19	120.2642	2.239	103	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CO)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CO){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.3045	1.088	2	120.3045	1.184	2	120.2449	2.380	19	120.2642	2.239	103	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	121.0385	0.607	2	121.0385	0.369	2	120.2449	2.380	19	120.2642	2.239	103	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]HH){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.8185	3.222	2	120.8185	10.383	2	120.2449	2.380	19	120.2642	2.239	103	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HO)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|O<2>,1|P<4>,3|C<3>,3|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HO){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.8885	1.324	2	119.8885	1.754	2	120.2449	2.380	19	120.2642	2.239	103	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]HH){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	121.0250	2.003	2	121.0250	4.010	2	120.2449	2.380	19	120.2642	2.239	103	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]HH){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	120.6105	2.681	2	120.1058	2.998	4	120.2449	2.380	19	120.2642	2.239	103	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|N<3>,4|H<1>}	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]HH){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.6010	0.888	2	120.1058	2.998	4	120.2449	2.380	19	120.2642	2.239	103	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	P[5,5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]P[5,5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](P[5,5]N[5,5]P[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]P[5,5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,1|C<4>,1|N<3>,1|P<4>,4|H<1>}	N[5](P[5,5]N[5,5]P[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|P<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|P<3>}	118.6080	0.000	1	118.6080	0.000	1	118.6080	0.000	1	120.2642	2.239	103	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]O[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]O[5]CC){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC){1|C<4>,2|C<3>,2|H<1>}	119.9530	0.000	1	119.9530	0.000	1	119.9530	0.000	1	119.8273	1.581	3	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:S-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(SC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(SC[6a]){1|C<4>,1|H<1>,3|C<3>}	121.0170	0.000	1	121.0170	0.000	1	121.0170	0.000	1	119.8273	1.581	3	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	N[5](C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)(C[5]C[5]HH){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	118.5120	0.000	1	118.5120	0.000	1	118.5120	0.000	1	119.8273	1.581	3	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]O[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,1|N<2>,1|O<2>,3|C<3>,4|C<4>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]O[5]CC){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|N<2>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	119.2200	0.000	1	118.8015	0.350	2	118.8015	0.350	2	121.4046	4.270	7	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]O[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|N<2>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]O[5]CC){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,1|N<2>,1|O<2>,3|C<3>,4|C<4>}	118.3830	0.000	1	118.8015	0.350	2	118.8015	0.350	2	121.4046	4.270	7	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:S-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(SC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|S<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(SC[6a]O){1|C<4>,1|H<1>,3|C<3>}	120.4910	0.000	1	120.4910	0.000	1	120.4910	0.000	1	121.4046	4.270	7	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:B[5]-4:	C[6a]-3:C[6a]-3:P-3:	C[6a](N[5]C[5,6a]B[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(B[5]P[5]FF)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PCC)	C[6a](N[5]C[5,6a]B[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|P<4>,2|F<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(B[5]P[5]FF){1|P<3>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PCC){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	122.1550	0.000	1	122.1550	0.000	1	122.1550	0.000	1	121.4046	4.270	7	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	123.6940	0.000	1	123.6940	0.000	1	123.6940	0.000	1	121.4046	4.270	7	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCH)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCH){1|C<4>,1|H<1>,3|C<3>}	123.3530	0.000	1	123.3530	0.000	1	123.3530	0.000	1	121.4046	4.270	7	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[6a]-3:C[6a]-3:	P[5,5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:P-3:	C[6a](N[5]P[5,5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](P[5,5]N[5,5]P[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2)	C[6a](N[5]P[5,5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,1|C<4>,1|N<3>,1|P<4>,4|H<1>}	N[5](P[5,5]N[5,5]P[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|P<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	122.5360	0.000	1	122.5360	0.000	1	122.5360	0.000	1	121.4046	4.270	7	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[6a,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(C[6a]C[6a]P)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(PC[6a]2Pd)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(C[6a]C[6a]P){1|C<4>,4|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH){1|P<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(PC[6a]2Pd){1|C<4>,1|H<1>,3|C<3>}	118.5630	0.000	1	118.5630	0.000	1	118.5630	0.000	1	119.1454	1.603	181	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CO)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CO){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	122.5680	0.000	1	122.5680	0.000	1	119.1203	1.713	160	119.1454	1.603	181	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[3,3,5,6,6]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<5>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[5]B[3,3,5,6,6]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|B<5>,2|B<6>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.3325	0.654	4	118.3325	0.427	4	119.1203	1.713	160	119.1454	1.603	181	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[4]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<4>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[5]B[4]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){1|C<2>,2|C<3>,2|H<1>,2|S<2>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.6945	4.335	2	118.6318	7.988	6	119.1203	1.713	160	119.1454	1.603	181	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[4]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<4>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[5]B[4]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){2|Se<2>,1|C<2>,2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.6005	2.654	4	118.6318	7.988	6	119.1203	1.713	160	119.1454	1.603	181	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[5]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<4>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[5]B[5]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){1|B<3>,3|C<3>,3|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.9615	0.599	2	118.8925	0.218	4	119.1203	1.713	160	119.1454	1.603	181	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[5]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<4>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[5]B[5]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){2|Se<2>,1|C<2>,2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.8235	0.525	2	118.8925	0.218	4	119.1203	1.713	160	119.1454	1.603	181	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|B<3>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	119.1223	0.642	4	119.0109	0.415	8	119.1203	1.713	160	119.1454	1.603	181	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[5]B[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	118.8995	0.722	4	119.0109	0.415	8	119.1203	1.713	160	119.1454	1.603	181	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[5]B[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|B<3>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.7080	0.553	8	118.7080	0.306	8	119.1203	1.713	160	119.1454	1.603	181	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[5x3]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<6>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[5]B[5x3]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,9|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.6400	6.206	2	118.6400	38.509	2	119.1203	1.713	160	119.1454	1.603	181	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[6]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<4>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[5]B[6]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){1|Cr<9>,2|C<3>,2|H<1>,6|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	119.2422	1.708	4	119.5998	2.083	6	119.1203	1.713	160	119.1454	1.603	181	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[6]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<5>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[5]B[6]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){2|Li<7>,2|C<3>,2|C<5>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	120.3150	0.354	2	119.5998	2.083	6	119.1203	1.713	160	119.1454	1.603	181	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[4]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[4]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){1|P<2>,1|P<3>,2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	119.8630	0.844	4	119.6962	0.518	6	119.1203	1.713	160	119.1454	1.603	181	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[4]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[4]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){1|P<2>,1|P<4>,2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	119.3625	0.347	2	119.6962	0.518	6	119.1203	1.713	160	119.1454	1.603	181	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[4]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[5]C[4]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,2|P<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	119.0088	0.758	6	119.0088	0.575	6	119.1203	1.713	160	119.1454	1.603	181	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]As)(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|As<2>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[5,6]As)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	119.1385	1.141	4	119.1385	1.302	4	119.1203	1.713	160	119.1454	1.603	181	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]B[6])(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<3>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[5,6]B[6])(C[6a]C[6a]2)(C[5]C[5]CC){2|H<1>,4|C<3>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	119.0485	1.200	2	119.0485	1.440	2	119.1203	1.713	160	119.1454	1.603	181	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]Be)(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Be<2>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[5,6]Be)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	119.5880	0.799	2	119.2700	0.375	4	119.1203	1.713	160	119.1454	1.603	181	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]Be)(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Be<3>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[5,6]Be)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.9520	0.288	2	119.2700	0.375	4	119.1203	1.713	160	119.1454	1.603	181	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]C)(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<2>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[5,6]C)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.9433	0.165	8	118.9300	0.364	22	119.1203	1.713	160	119.1454	1.603	181	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]C)(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[5,6]C)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.9224	0.758	14	118.9300	0.364	22	119.1203	1.713	160	119.1454	1.603	181	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]CC){2|H<1>,4|C<3>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	119.7825	1.020	2	119.7825	1.041	2	119.1203	1.713	160	119.1454	1.603	181	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]Ga)(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ga<4>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[5,6]Ga)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.7165	1.947	4	118.7165	3.790	4	119.1203	1.713	160	119.1454	1.603	181	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]Ge)(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ge<2>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[5,6]Ge)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	119.5722	0.968	6	119.5722	0.937	6	119.1203	1.713	160	119.1454	1.603	181	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,3|H<1>,4|C<4>}	N[5](C[5]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.2610	0.864	4	118.2610	0.747	4	119.1203	1.713	160	119.1454	1.603	181	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]Ni)(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<3>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[5,6]Ni)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	119.5840	2.489	2	119.2583	3.387	6	119.1203	1.713	160	119.1454	1.603	181	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]Ni)(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<4>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[5,6]Ni)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	119.0955	1.864	4	119.2583	3.387	6	119.1203	1.713	160	119.1454	1.603	181	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	N[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	119.5135	0.585	2	119.5135	0.342	2	119.1203	1.713	160	119.1454	1.603	181	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]P)(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|P<2>,2|H<1>,4|C<4>}	N[5](C[5]C[5,6]P)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	119.1833	1.526	8	119.1871	1.880	10	119.1203	1.713	160	119.1454	1.603	181	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]P)(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|P<3>,2|H<1>,4|C<4>}	N[5](C[5]C[5,6]P)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	119.2025	0.784	2	119.1871	1.880	10	119.1203	1.713	160	119.1454	1.603	181	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]S)(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|S<1>,2|H<1>,4|C<4>}	N[5](C[5]C[5,6]S)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.9655	0.534	2	118.9655	0.285	2	119.1203	1.713	160	119.1454	1.603	181	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]Si)(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Si<2>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[5,6]Si)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	119.6330	0.813	4	119.4682	1.564	8	119.1203	1.713	160	119.1454	1.603	181	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]Si)(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Si<4>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[5,6]Si)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	119.3035	1.708	4	119.4682	1.564	8	119.1203	1.713	160	119.1454	1.603	181	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]Si[6])(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Si<3>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[5,6]Si[6])(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,6|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	119.1940	2.652	2	119.1940	7.031	2	119.1203	1.713	160	119.1454	1.603	181	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]CC){2|H<1>,4|C<3>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	119.7533	1.018	6	119.7533	1.036	6	119.1203	1.713	160	119.1454	1.603	181	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<3>,2|H<1>,2|N<2>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	118.5955	0.559	2	119.0330	1.312	4	119.1203	1.713	160	119.1454	1.603	181	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	119.4705	1.691	2	119.0330	1.312	4	119.1203	1.713	160	119.1454	1.603	181	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.9576	1.586	11	118.9576	2.515	11	119.1203	1.713	160	119.1454	1.603	181	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]N[5]P[4])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|P<3>,4|H<1>}	N[5](C[5]N[5]P[4])(C[6a]C[6a]2)(C[5]C[5]HH){2|Ga<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	119.1734	1.420	8	119.1734	2.016	8	119.1203	1.713	160	119.1454	1.603	181	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]Si[6]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Si<3>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[5]Si[6]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,6|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	119.4755	2.063	2	119.4755	4.254	2	119.1203	1.713	160	119.1454	1.603	181	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	B[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](B[5]B[3,3]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|B<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](B[5]B[3,3]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|B<4>,2|C<4>,2|H<1>,2|H<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<3>,1|H<1>,2|C<4>}	119.4625	0.415	8	119.4625	0.172	8	119.2640	0.196	12	119.1454	1.603	181	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	B[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](B[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|N<3>,3|C<3>,4|H<1>}	N[5](B[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|Cl<1>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<3>,1|H<1>,2|C<4>}	118.8650	0.027	2	118.8650	0.001	2	119.2640	0.196	12	119.1454	1.603	181	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	B[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](B[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|N<3>,3|C<3>,4|H<1>}	N[5](B[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|Cl<1>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH){1|B<3>,1|C<3>,1|H<1>,2|C<4>}	118.8690	0.040	2	118.8690	0.002	2	119.2640	0.196	12	119.1454	1.603	181	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,5]B[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2{1|B<3>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[5,5]C[5,5]B[5])(C[6a]C[6a]2)(C[5]C[5]CC){1|B<3>,2|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	120.2205	1.447	2	120.2205	2.095	2	120.2205	2.095	2	119.1454	1.603	181	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2	N[5](C[5,6]N[5,6]Ga[6])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2{1|Ga<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[5,6]N[5,6]Ga[6])(C[6a]C[6a]2)(C[5]C[5]HH){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.9610	1.322	2	118.9610	1.748	2	119.0480	0.738	4	119.1454	1.603	181	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2	N[5](C[5,6]N[5,6]Ga[6])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)2{1|Ga<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[5,6]N[5,6]Ga[6])(C[6a]C[6a]2)(C[5]C[5]HH){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	119.1350	0.660	2	119.1350	0.436	2	119.0480	0.738	4	119.1454	1.603	181	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]P)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHO)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]P){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|P<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHO){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	121.5550	0.000	1	121.5550	0.000	1	121.5550	0.000	1	119.1454	1.603	181	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:P-4:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]P)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Pd)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]P){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|P<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Pd){1|H<1>,2|C<3>,2|C<4>}	118.1360	0.000	1	118.1360	0.000	1	118.1360	0.000	1	119.1454	1.603	181	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H)	C[6a](C[6a]C[5,6a]H)(N[5]C[5]N[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5]){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	119.9180	0.000	1	119.9547	0.354	3	119.9547	0.354	3	120.3817	1.720	94	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H)	C[6a](C[6a]C[5,6a]H)(N[5]C[5]N[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	119.9730	0.840	2	119.9547	0.354	3	119.9547	0.354	3	120.3817	1.720	94	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(N[5]C[5]){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	121.3800	0.000	1	121.3800	0.000	1	121.3800	0.000	1	120.3817	1.720	94	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[5,6a]H)(H)	C[6a](C[6a]C[5,6a]H)(N[5]C[5]N[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5]){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	118.8710	0.000	1	119.2697	0.326	3	119.7205	1.030	4	120.3817	1.720	94	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[5,6a]H)(H)	C[6a](C[6a]C[5,6a]H)(N[5]C[5]N[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	119.4690	0.643	2	119.2697	0.326	3	119.7205	1.030	4	120.3817	1.720	94	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(N[5]C[5]){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	121.0730	0.000	1	121.0730	0.000	1	119.7205	1.030	4	120.3817	1.720	94	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	119.5540	0.895	2	119.5540	0.801	2	120.4545	1.228	70	120.3817	1.720	94	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.3740	2.284	4	120.4506	3.005	16	120.4545	1.228	70	120.3817	1.720	94	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	120.9265	0.457	2	120.4506	3.005	16	120.4545	1.228	70	120.3817	1.720	94	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.3861	1.786	10	120.4506	3.005	16	120.4545	1.228	70	120.3817	1.720	94	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.3460	0.296	2	120.6129	0.343	20	120.4545	1.228	70	120.3817	1.720	94	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.9560	0.922	2	120.6129	0.343	20	120.4545	1.228	70	120.3817	1.720	94	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	120.4900	0.615	6	120.6129	0.343	20	120.4545	1.228	70	120.3817	1.720	94	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.6737	0.621	4	120.6129	0.343	20	120.4545	1.228	70	120.3817	1.720	94	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.6805	0.849	2	120.6129	0.343	20	120.4545	1.228	70	120.3817	1.720	94	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	121.0950	0.593	2	120.6129	0.343	20	120.4545	1.228	70	120.3817	1.720	94	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.2340	0.457	2	120.6129	0.343	20	120.4545	1.228	70	120.3817	1.720	94	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	120.6725	0.175	2	120.6725	0.031	2	120.4545	1.228	70	120.3817	1.720	94	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.0757	0.644	12	120.0757	0.415	12	120.4545	1.228	70	120.3817	1.720	94	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]OV)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<2>,1|V<8>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]OV)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	119.7380	1.450	2	119.7380	2.101	2	120.4545	1.228	70	120.3817	1.720	94	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	120.5847	1.381	4	120.7193	1.305	16	120.4545	1.228	70	120.3817	1.720	94	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	120.6965	1.923	2	120.7193	1.305	16	120.4545	1.228	70	120.3817	1.720	94	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(N[5]C[5]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	120.7450	1.049	2	120.7193	1.305	16	120.4545	1.228	70	120.3817	1.720	94	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(N[5]C[5]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	120.8505	1.156	6	120.7193	1.305	16	120.4545	1.228	70	120.3817	1.720	94	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(N[5]C[5]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	120.5915	1.474	2	120.7193	1.305	16	120.4545	1.228	70	120.3817	1.720	94	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.2790	5.350	2	120.4420	17.743	4	120.3447	5.961	12	120.3817	1.720	94	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]C[5]){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	120.6050	4.950	2	120.4420	17.743	4	120.3447	5.961	12	120.3817	1.720	94	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[4,5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[4,5]){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.6730	0.704	2	120.6730	0.496	2	120.3447	5.961	12	120.3817	1.720	94	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5,5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5,5]){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.2640	2.976	2	120.2640	8.854	2	120.3447	5.961	12	120.3817	1.720	94	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5]){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	119.9045	0.366	2	120.1238	0.842	4	120.3447	5.961	12	120.3817	1.720	94	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5]){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.3430	1.484	2	120.1238	0.842	4	120.3447	5.961	12	120.3817	1.720	94	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:P[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<2>,2|H<1>}	119.9510	0.688	4	119.9510	0.473	4	119.9510	0.473	4	120.3817	1.720	94	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5])	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(N[5]C[5]2){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(N[6]C[6]2){1|C<2>,2|C<3>,3|C<4>,5|H<1>}	119.2600	0.286	6	119.2600	0.082	6	119.2600	0.082	6	119.6814	0.668	8	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:3:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(COO)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(COO){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.9455	0.060	2	120.9455	0.004	2	120.9455	0.004	2	119.6814	0.668	8	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5])	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	120.3025	0.291	2	120.3025	0.084	2	120.1177	0.139	6	119.6114	0.823	16	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5])	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(CH3){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	120.0252	0.412	4	120.0252	0.170	4	120.1177	0.139	6	119.6114	0.823	16	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5,6])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,2|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5,6]){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	119.1875	0.261	2	119.1875	0.068	2	118.8223	0.444	6	119.6114	0.823	16	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]){1|P<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	118.6397	0.765	4	118.6397	0.585	4	118.8223	0.444	6	119.6114	0.823	16	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:P[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|P<2>,3|C<4>}	120.0355	1.070	4	120.0355	1.146	4	120.0355	1.146	4	119.6114	0.823	16	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:2:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)	C[6a](C[6a]C[6a]N[5])(N[6a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5]C[5]2){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(N[6a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	119.6010	0.000	1	119.6010	0.000	1	119.6010	0.000	1	119.6010	0.000	1	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[5,5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(N[5]C[5,5]C[5])(C[6a]C[6a]H)	N[5](C[6a]C[6,6a]C[6a])(C[5,5]C[5]2O[5])(C[5]C[5]O)	C[6a](C[6a]C[6,6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[5]C[5,5]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>,2|O<2>,5|C<4>}	N[5](C[6a]C[6,6a]C[6a])(C[5,5]C[5]2O[5])(C[5]C[5]O){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6,6a]N[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	115.5500	0.000	1	115.5500	0.000	1	115.5500	0.000	1	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]O)	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|N<2>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]O){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]N[6a])(H){1|C<4>,5|C<3>}	120.4830	0.000	1	120.4830	0.000	1	120.1437	0.321	6	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]N[5]CC)(C[5]N[5]S)	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|S<1>,2|C<4>,2|H<1>,2|N<2>,3|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]N[5]CC)(C[5]N[5]S){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.1430	0.000	1	119.1430	0.000	1	120.1437	0.321	6	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]O)	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|O<1>,2|H<1>,6|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]O){1|H<1>,1|N<2>,1|S<2>,5|C<3>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	120.3060	0.000	1	120.3060	0.000	1	120.1437	0.321	6	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O)	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	119.8130	0.000	1	119.8130	0.000	1	120.1437	0.321	6	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O){1|H<1>,1|N<2>,6|C<3>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	120.4870	0.000	1	120.4870	0.000	1	120.1437	0.321	6	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|O<1>,3|H<1>,5|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	120.6300	0.000	1	120.6300	0.000	1	120.1437	0.321	6	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:B[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5]B[5]C[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a,6a]C[6a])(B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5]B[5]C[5])(C[6a]C[6a]H){3|H<1>,7|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H){1|H<1>,9|C<3>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	119.8225	1.371	2	119.8225	1.880	2	119.8225	1.880	2	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[5,6]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[5]C[5,6]C[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5]O)	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[5]C[5,6]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	N[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5]O){1|C<4>,1|N<2>,1|N<3>,3|C<3>,8|H<1>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	120.0965	0.780	2	120.0965	0.608	2	120.0965	0.608	2	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(N[5]C[5]2){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]O){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H){2|H<1>,3|C<3>,3|C<4>}	119.6480	0.071	2	119.6480	0.005	2	119.6480	0.005	2	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(N[5]C[5]2){1|C<3>,1|O<1>,2|F<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O){2|C<3>,2|F<1>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]F)(F){1|F<1>,2|C<3>,2|C<4>}	121.4290	0.470	2	121.4290	0.220	2	121.8662	1.340	22	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F)	C[6a](C[6a]C[6a]F)2(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){2|C<3>,2|F<1>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F){1|F<1>,2|C<3>,2|C<4>}	122.5045	0.161	2	122.1280	0.601	6	121.8662	1.340	22	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F)	C[6a](C[6a]C[6a]F)2(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){2|F<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	121.9398	0.923	4	122.1280	0.601	6	121.8662	1.340	22	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F)	C[6a](C[6a]C[6a]F)2(N[5]C[5]2){1|Ru<5>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru){2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	121.9918	1.372	12	121.9918	1.883	12	121.8662	1.340	22	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]FH)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(N[5]C[5]2){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|F<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]FH)(C[5]C[5]O){1|O<1>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]F)(F){1|C<4>,2|C<3>,2|F<1>}	120.7645	0.889	2	120.7645	0.790	2	121.8662	1.340	22	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|O<1>,2|C<4>,2|O<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|C<4>}	117.6580	0.000	1	117.6580	0.000	1	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	118.6930	0.000	1	118.6930	0.000	1	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]Rh)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Rh<6>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]Rh){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	119.1543	0.648	3	119.1543	0.420	3	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]Ru)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Ru<5>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]Ru){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	117.6545	0.179	2	118.8690	4.441	3	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]Ru)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Ru<6>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]Ru){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	121.2980	0.000	1	118.8690	4.441	3	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Fe)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Fe<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Fe){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	118.6225	1.494	2	118.6225	2.232	2	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,2|C<4>}	116.2875	0.211	2	116.2875	0.045	2	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	114.1855	0.193	2	114.1855	0.037	2	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	117.7860	1.607	8	117.9546	2.161	10	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	118.6290	0.496	2	117.9546	2.161	10	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Ru<5>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,2|C<4>}	118.7005	0.913	2	118.7005	0.833	2	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Ru<5>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	118.4925	0.448	2	118.4925	0.200	2	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]O){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.4260	0.000	1	120.4260	0.000	1	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]O){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	121.0210	0.000	1	120.8293	0.054	4	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]O){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.8770	0.000	1	120.8293	0.054	4	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]O){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.4910	0.000	1	120.8293	0.054	4	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]O){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.9280	0.000	1	120.8293	0.054	4	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	N[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	116.3880	0.000	1	116.3880	0.000	1	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	118.7935	0.241	2	118.7935	0.058	2	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	118.5120	0.000	1	118.5120	0.000	1	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	119.7760	0.000	1	119.7760	0.000	1	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.5770	0.000	1	120.5770	0.000	1	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Al)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Al<5>,1|C<3>,1|N<3>,2|H<1>,3|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Al){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	117.4485	0.323	2	117.4485	0.104	2	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Fe)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Fe<4>,1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Fe){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	117.5108	0.405	4	117.5108	0.164	4	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	118.3133	0.262	3	118.3133	0.069	3	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	118.1505	0.426	2	118.1505	0.182	2	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|O<2>}	121.5755	0.571	6	121.5755	0.326	6	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,1|S<1>,2|C<4>,2|H<1>,2|N<2>}	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]S){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|O<2>}	120.5880	0.000	1	120.5880	0.000	1	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Mn)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(N[5]C[5]2){1|Mn<6>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Mn){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	118.7780	0.000	1	118.7780	0.000	1	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pt)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(N[5]C[5]2){1|Pt<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pt){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	117.2520	0.593	4	117.2520	0.352	4	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Re)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(N[5]C[5]2){1|Re<6>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Re){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	117.5550	0.158	4	117.5550	0.025	4	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Rh)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(N[5]C[5]2){1|Rh<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Rh){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	117.3977	0.189	3	117.3977	0.036	3	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[5]C[5]2){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	118.1560	0.731	4	118.1560	0.535	4	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|C<4>,2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.9617	0.275	8	119.9617	0.075	8	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Cl<1>,1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	121.2700	0.102	2	121.2700	0.010	2	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.0975	1.566	2	119.7334	1.701	12	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.7175	1.076	2	119.7334	1.701	12	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	119.7525	1.365	2	119.7334	1.701	12	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Cl<1>,1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	118.7655	0.598	2	119.7334	1.701	12	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	119.9770	2.369	2	119.7334	1.701	12	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	120.0905	2.181	2	119.7334	1.701	12	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]O[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]O[5]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.4755	0.173	2	120.4755	0.030	2	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|C<4>,2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,2|C<3>,2|H<1>}	121.2550	0.000	1	121.2550	0.000	1	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|C<4>,2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.6850	0.000	1	120.3322	1.009	5	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|C<4>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.4940	1.082	4	120.3322	1.009	5	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Cl<1>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	118.8700	0.000	1	118.8700	0.000	1	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O){1|P<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	119.9040	0.020	2	120.1865	0.544	17	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.1690	0.693	2	120.1865	0.544	17	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.2295	0.216	2	120.1865	0.544	17	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.3485	1.361	2	120.1865	0.544	17	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Cl<1>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	121.6260	0.000	1	120.1865	0.544	17	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.5370	0.817	2	120.1865	0.544	17	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O){2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.1740	0.472	2	120.1865	0.544	17	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.9430	0.119	2	120.1865	0.544	17	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,3|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.4670	1.416	2	120.1865	0.544	17	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.0210	0.434	2	120.8472	1.478	5	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|N<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	121.3980	1.313	3	120.8472	1.478	5	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|N<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H){1|C<4>,2|C<3>,2|H<1>}	119.6100	1.683	2	119.6100	2.832	2	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O)	C[6a](C[6a]C[6a]N[5])2(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|N<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]O){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])2(H){2|C<4>,2|H<1>,3|C<3>}	118.7810	0.000	1	118.7810	0.000	1	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,1|S<1>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]S){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.8392	1.062	4	119.8392	1.128	4	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]O){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.1227	0.816	4	120.1227	0.666	4	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CO)(C[5]S[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|N<3>,1|O<2>,1|S<2>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CO)(C[5]S[5]N){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.3810	1.797	2	119.3810	3.231	2	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|C<3>,2|C<4>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.6923	1.298	4	120.6923	1.684	4	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,2|C<3>,5|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){1|C<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	121.1735	0.510	2	121.1735	0.260	2	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.4105	2.818	2	120.4105	7.940	2	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,2|C<3>,2|H<1>}	121.7040	0.000	1	121.7040	0.000	1	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){1|S<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,2|H<1>}	119.5390	1.447	2	119.5390	2.093	2	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,2|C<3>,2|F<1>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.0380	1.325	2	120.4941	2.489	27	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.7920	2.488	2	120.4941	2.489	27	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.6460	1.945	2	120.4941	2.489	27	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.7965	1.498	2	120.4941	2.489	27	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.6465	2.624	2	120.4941	2.489	27	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.8390	2.865	2	120.4941	2.489	27	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.5155	1.856	2	120.4941	2.489	27	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.5545	1.042	2	120.4941	2.489	27	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.9795	1.901	4	120.4941	2.489	27	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.0795	1.293	2	120.4941	2.489	27	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){1|S<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.6645	2.426	2	120.4941	2.489	27	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.3430	0.000	1	120.4941	2.489	27	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,3|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.4680	2.882	2	120.4941	2.489	27	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.0475	0.957	2	120.0475	0.915	2	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]N){2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	120.6925	3.388	2	120.6925	11.477	2	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.2855	0.299	2	120.3355	1.510	17	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.3745	1.251	10	120.3355	1.510	17	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,2|N<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.0110	0.000	1	120.3355	1.510	17	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.5775	2.244	2	120.3355	1.510	17	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.6105	1.708	2	120.3355	1.510	17	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)	C[6a](C[6a]C[6a]N[5])2(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,2|N<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])2(H){2|C<4>,2|H<1>,3|C<3>}	120.6770	0.000	1	120.6770	0.000	1	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.7505	1.151	6	120.7505	1.324	6	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Re)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Re<6>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Re){2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	120.0385	1.616	2	120.0385	2.611	2	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Ru<9>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.8510	1.684	2	119.8510	2.837	2	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|S<1>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]S){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.1453	1.785	4	120.0744	1.527	18	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|S<2>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]S){2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.0542	1.122	14	120.0744	1.527	18	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]F)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|F<1>,1|O<1>,1|O<2>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.0420	1.230	7	120.6728	2.391	13	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]F)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|F<1>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,3|C<3>}	120.2420	1.873	6	120.6728	2.391	13	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|F<1>,1|O<1>,1|O<2>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.4599	1.425	7	120.5187	2.237	21	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|I<1>,2|C<3>}	120.6880	1.822	2	120.5187	2.237	21	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.3263	1.488	4	120.5187	2.237	21	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.8503	1.717	4	120.5187	2.237	21	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.2590	2.097	2	120.5187	2.237	21	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.5365	2.921	2	120.5187	2.237	21	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]Re)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Re<6>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]Re){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	119.3195	0.179	2	119.3195	0.032	2	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]C){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.9217	0.635	16	119.9217	0.403	16	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|S<2>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]N){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.4855	0.845	2	120.4855	0.714	2	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]O[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HN)(C[5]O[5]O){1|C<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	119.9550	0.290	2	119.9550	0.084	2	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]O){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.7595	0.407	2	119.7595	0.165	2	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<2>,1|S<1>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]S){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.8660	0.204	4	119.8660	0.041	4	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]S[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|O<2>,1|S<1>,1|S<2>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]S[5]S){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	119.2390	0.499	2	119.2390	0.249	2	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|S<1>,2|C<4>,2|H<1>,2|N<2>}	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]S){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.0990	0.351	2	119.5080	3.350	6	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|S<1>,2|C<4>,2|H<1>,2|N<2>}	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]S){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.2125	2.279	4	119.5080	3.350	6	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|S<1>,2|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]N[5]S){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.2155	2.131	2	120.2155	4.539	2	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]S[5]CH)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,1|S<2>,2|C<4>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]S[5]CH)(C[5]C[5]O){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.7080	0.000	1	119.7630	0.014	3	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]S[5]CH)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,1|S<2>,2|C<4>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]S[5]CH)(C[5]C[5]O){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	119.7905	0.153	2	119.7630	0.014	3	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ir)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ir){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|Ir<6>,1|C<4>,1|H<1>,2|C<3>}	121.7120	0.000	1	121.7120	0.000	1	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(N[5]C[5]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]C){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.0000	0.000	1	120.0000	0.000	1	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>,3|C<4>}	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]C){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	119.7230	0.211	2	119.7230	0.044	2	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|C<4>,1|O<2>,2|C<3>}	122.4200	0.000	1	122.4200	0.000	1	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Rh)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Rh){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Rh<4>,1|C<4>,1|H<1>,2|C<3>}	121.0610	0.000	1	121.0610	0.000	1	119.8191	2.405	308	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2	N[5](C[5,6a]N[5,6a]N[6a])(C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N[5](C[5,6a]N[5,6a]N[6a])(C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	119.9335	1.823	4	119.9335	3.325	4	119.9335	3.325	4	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.4567	1.696	4	120.4942	2.004	6	120.4942	2.004	6	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(C[6a]C[6a]2){3|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.5690	1.172	2	120.4942	2.004	6	120.4942	2.004	6	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.2515	2.381	2	121.2515	5.668	2	121.2515	5.668	2	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:Ga[5,5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](N[5]C[5,6a]Ga[5,5])(C[6a]C[6a]F)2	N[5](C[5,6a]C[5,6a]C[6a])(Ga[5,5]O[5,5]N[5]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]F)(F)	C[6a](N[5]C[5,6a]Ga[5,5])(C[6a]C[6a]F)2{1|C<4>,1|N<3>,1|O<3>,2|F<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Ga[5,5]O[5,5]N[5]C)(C[6a]C[6a]2){1|H<1>,2|F<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]F)(F){1|Ga<4>,2|C<3>,2|F<1>}	122.4698	3.224	4	122.4698	10.391	4	122.4698	10.391	4	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]P[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]N[5]Se)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]P[5])(C[6a]C[6a]H)2{1|Se<1>,1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]N[5]Se)(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	119.9865	0.425	2	119.9865	0.181	2	119.9865	0.181	2	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:P[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Cl)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Cl){1|P<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|P<3>}	121.1400	0.000	1	121.1400	0.000	1	119.5569	2.385	18	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:P[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Co)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Co<5>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Co){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|P<3>,1|P<4>}	118.5625	0.108	2	118.5625	0.012	2	119.5569	2.385	18	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:P[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Ni)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Ni<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Ni){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|P<3>,1|P<4>}	118.8023	1.660	7	118.8023	2.754	7	119.5569	2.385	18	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:P[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Pt)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Pt<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Pt){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|P<3>,1|P<4>}	118.6410	0.761	2	118.6410	0.579	2	119.5569	2.385	18	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:P[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Cl)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Cl){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|P<3>}	120.9475	0.951	2	120.9475	0.905	2	119.5569	2.385	18	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:P[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]O){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	120.7415	0.982	4	120.7415	0.964	4	119.5569	2.385	18	119.9682	2.665	379	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC){1|C<4>,2|C<3>,2|H<1>}	119.5470	0.000	1	119.5470	0.000	1	119.5470	0.000	1	120.4725	3.198	21	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	118.8460	0.000	1	118.8460	0.000	1	120.5188	3.319	20	120.4725	3.198	21	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Al)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OAl)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Al<5>,1|C<3>,1|N<3>,2|H<1>,3|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Al){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OAl){1|C<4>,2|C<3>,2|H<1>}	120.6110	0.584	2	120.6110	0.341	2	120.5188	3.319	20	120.4725	3.198	21	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Fe)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OFe)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Fe<4>,1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Fe){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OFe){1|C<4>,2|C<3>,2|H<1>}	122.5955	0.761	4	122.5955	0.579	4	120.5188	3.319	20	120.4725	3.198	21	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OAl)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OAl){1|C<4>,2|C<3>,2|H<1>}	118.0933	0.340	3	118.0933	0.116	3	120.5188	3.319	20	120.4725	3.198	21	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	122.4670	0.245	2	122.4670	0.060	2	120.5188	3.319	20	120.4725	3.198	21	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	119.6663	1.082	6	119.6663	1.171	6	120.5188	3.319	20	120.4725	3.198	21	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,1|S<1>,2|C<4>,2|H<1>,2|N<2>}	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]S){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	119.9860	0.000	1	119.9860	0.000	1	120.5188	3.319	20	120.4725	3.198	21	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|Pd<4>,1|C<4>,1|O<2>,2|C<3>}	122.7280	0.000	1	122.7280	0.000	1	120.5188	3.319	20	120.4725	3.198	21	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]O[5]O)	C[6a](C[6a]C[6a,6a]N[5])(C[6a]N[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]2){1|N<2>,1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]O[5]O){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]N[6a]C[6])(C[6a]C[6a]2){3|C<4>,3|H<1>,5|C<3>}	120.1680	0.000	1	120.1680	0.000	1	120.1680	0.000	1	119.3210	1.068	22	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]H)	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(N[5]C[5]2){1|N<3>,3|C<3>,3|C<4>,5|H<1>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(N[6]C[6]2){3|C<3>,3|C<4>,5|H<1>}	119.6200	0.000	1	119.6200	0.000	1	119.0784	0.473	5	119.3210	1.068	22	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]Pd)	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(N[5]C[5]2){1|Pd<6>,1|N<3>,3|C<3>,3|C<4>,4|H<1>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]Pd){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(N[6]C[6]2){3|C<3>,3|C<4>,5|H<1>}	118.9430	0.713	4	118.9430	0.508	4	119.0784	0.473	5	119.3210	1.068	22	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5]C[5]2){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|S<4>,2|H<1>,6|C<3>}	119.7530	0.000	1	119.7530	0.000	1	119.7530	0.000	1	119.3210	1.068	22	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]O){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCO){1|C<4>,2|C<3>,2|H<1>}	119.3930	0.000	1	119.3930	0.000	1	118.6050	0.402	5	119.3210	1.068	22	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]O){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCO){1|C<4>,2|C<3>,2|H<1>}	118.0270	0.000	1	118.4080	0.277	4	118.6050	0.402	5	119.3210	1.068	22	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]O){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCO){1|C<4>,2|C<3>,2|H<1>}	118.1810	0.000	1	118.4080	0.277	4	118.6050	0.402	5	119.3210	1.068	22	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]O){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCO){1|C<4>,2|C<3>,2|H<1>}	119.1860	0.000	1	118.4080	0.277	4	118.6050	0.402	5	119.3210	1.068	22	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]O){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCO){1|C<4>,2|C<3>,2|H<1>}	118.2380	0.000	1	118.4080	0.277	4	118.6050	0.402	5	119.3210	1.068	22	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(N[5]C[5]2){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]O){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	119.2475	0.564	2	119.2475	0.318	2	119.4468	0.192	4	119.3210	1.068	22	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]B[5]CH)(C[5]O[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)2(N[5]C[5]2){1|B<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	N[5](C[6a]C[6a]2)(C[5]B[5]CH)(C[5]O[5]O){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,3|C<4>,5|C<3>}	119.6460	0.315	2	119.6460	0.099	2	119.4468	0.192	4	119.3210	1.068	22	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO){1|C<4>,2|C<3>,2|H<1>}	122.8030	0.000	1	122.8030	0.000	1	122.8030	0.000	1	119.3210	1.068	22	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:N[3]-3:	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[3]C[3]2)	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(N[5]C[5]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]C){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[3]C[3]2){2|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	120.0130	0.000	1	120.0130	0.000	1	120.0130	0.000	1	119.3210	1.068	22	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>,3|C<4>}	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]C){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|N<2>,1|N<3>,2|C<4>,2|H<1>,4|C<3>}	119.3975	0.357	2	119.3975	0.128	2	119.3975	0.128	2	119.3210	1.068	22	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:3:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:Si[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]C)2	N[5](C[5]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCH)	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]C)2{2|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]2){1|Si<4>,1|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	119.3440	0.000	1	119.3440	0.000	1	119.3440	0.000	1	119.3210	1.068	22	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:3:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:P[5]-3:	C[6a]-3:C[6a]-3:P-3:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Cl)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Cl){1|P<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	117.9830	0.000	1	117.9830	0.000	1	117.9830	0.000	1	119.3210	1.068	22	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5,6]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(N[5]C[5,6]C[5])	N[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]N[5]Ir)	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(N[5]C[5,6]C[5]){1|Ir<6>,1|N<3>,3|C<3>,4|C<4>,4|H<1>}	N[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]N[5]Ir){3|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[6]C[6]2H){3|C<3>,3|C<4>,5|H<1>}	121.3770	0.000	1	121.3770	0.000	1	121.3770	0.000	1	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]H)	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	119.2255	0.108	2	119.2255	0.012	2	120.0728	1.388	9	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]Pd)	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[5]C[5]2){1|Pd<5>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]Pd){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	120.2135	0.153	2	120.2135	0.024	2	120.0728	1.388	9	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]Ru)	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[5]C[5]2){1|Ru<5>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]Ru){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	120.5150	1.305	2	120.5150	1.704	2	120.0728	1.388	9	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]Pd)	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[5]C[5]2){1|Pd<5>,1|C<4>,1|N<3>,3|H<1>,4|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]Pd){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	120.2490	1.925	3	120.2490	3.704	3	120.0728	1.388	9	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]Ir)	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(N[5]C[5]2){1|Ir<6>,1|N<3>,3|C<3>,3|C<4>,5|H<1>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]Ir){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[6]C[6]2H){3|C<3>,3|C<4>,5|H<1>}	120.9225	0.193	2	120.9225	0.037	2	120.3035	0.548	4	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]Ru)	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(N[5]C[5]2){1|Ru<5>,1|N<3>,3|C<3>,3|C<4>,5|H<1>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]Ru){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[6]C[6]2H){3|C<3>,3|C<4>,5|H<1>}	119.6845	0.271	2	119.6845	0.073	2	120.3035	0.548	4	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]2){1|Ru<10>,4|C<3>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	118.8790	1.195	2	118.8790	1.428	2	118.6963	0.459	6	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[5]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2){1|H<1>,4|C<3>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	118.6050	0.505	4	118.6050	0.255	4	118.6963	0.459	6	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(CCCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|O<1>,2|C<4>,2|O<2>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(CCCH){1|C<4>,2|C<3>,2|H<1>}	118.4080	0.000	1	118.4080	0.000	1	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH){1|C<4>,2|C<3>,2|H<1>}	119.6770	0.000	1	119.6770	0.000	1	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]Rh)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Rh<6>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]Rh){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH){1|C<4>,2|C<3>,2|H<1>}	119.4163	0.600	3	119.4163	0.361	3	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]Ru)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Ru<5>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]Ru){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,2|C<3>,2|H<1>}	121.2670	0.926	2	121.2670	0.858	2	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]Ru)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Ru<6>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]Ru){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	118.2620	0.000	1	118.2620	0.000	1	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Fe)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Fe<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Fe){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,2|C<3>,2|H<1>}	119.7115	1.713	2	119.7115	2.935	2	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC3){1|C<4>,2|C<3>,2|H<1>}	123.4085	0.388	2	123.4085	0.151	2	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH){1|C<4>,2|C<3>,2|H<1>}	123.0660	0.783	2	123.0660	0.614	2	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC3){1|C<4>,2|C<3>,2|H<1>}	123.4130	0.911	2	123.4130	0.829	2	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,2|C<3>,2|H<1>}	120.1617	0.273	6	120.1617	0.075	6	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	121.0505	0.326	2	121.0505	0.106	2	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Ru<5>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	120.2195	0.491	2	119.9147	0.410	4	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Ru<5>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	119.6100	0.786	2	119.9147	0.410	4	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	N[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC3){1|C<4>,2|C<3>,2|H<1>}	123.3290	0.000	1	123.3290	0.000	1	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]B[5]HH)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<3>,1|C<4>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]B[5]HH)(C[5]C[5]C){1|P<3>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	118.9960	0.704	2	118.9960	0.496	2	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Al)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Al<3>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Al){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	119.5833	1.200	4	119.4072	2.910	12	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Al)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Al<4>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Al){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	119.3192	1.982	8	119.4072	2.910	12	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]As)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|As<2>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]As){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	119.3432	0.449	6	119.3432	0.201	6	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<2>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	120.4380	1.226	2	119.5568	1.369	78	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<3>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	119.7644	1.088	56	119.5568	1.369	78	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<4>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.9093	1.232	18	119.5568	1.369	78	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<4>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.6900	0.100	2	119.5568	1.369	78	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Be)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Be<2>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Be){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	119.3263	1.200	8	119.1583	1.299	14	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Be)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Be<3>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Be){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.9343	1.121	6	119.1583	1.299	14	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<2>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	119.0941	0.900	16	119.1269	1.110	26	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){2|C<3>,2|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	119.1794	1.315	10	119.1269	1.110	26	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Co)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Co<3>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Co){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	119.6550	0.499	4	119.3790	0.209	8	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Co)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Co<4>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Co){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	119.1030	0.191	4	119.3790	0.209	8	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Cr)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Cr<3>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Cr){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	119.6142	0.440	4	119.4068	0.525	6	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Cr)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Cr<6>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Cr){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.9920	1.236	2	119.4068	0.525	6	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Cu)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Cu<2>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Cu){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.6005	0.149	2	118.8515	0.096	4	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Cu)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Cu<4>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Cu){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	119.1025	0.111	2	118.8515	0.096	4	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Fe)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Fe<3>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Fe){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	119.5558	1.363	12	119.2080	1.320	28	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Fe)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Fe<4>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Fe){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.9271	0.957	14	119.2080	1.320	28	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Fe)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Fe<5>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Fe){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	119.0870	0.849	2	119.2080	1.320	28	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Ga)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ga<4>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Ga){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.7350	0.455	4	118.7350	0.207	4	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Ge)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ge<2>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Ge){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	119.1205	1.290	2	118.8905	0.551	6	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Ge)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ge<3>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Ge){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.7755	0.557	4	118.8905	0.551	6	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,3|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.2682	1.434	8	118.2682	2.058	8	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Ir)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ir<4>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Ir){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	119.3200	0.936	2	119.1107	4.708	4	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Ir)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ir<6>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Ir){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.9015	3.615	2	119.1107	4.708	4	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]O){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	119.5245	0.763	2	119.5245	0.582	2	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]P)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|P<2>,2|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]P){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	119.2971	0.895	10	119.0520	0.720	20	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]P)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|P<4>,2|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]P){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.8069	0.765	10	119.0520	0.720	20	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Ru)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<5>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Ru){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	119.3657	1.927	4	119.3657	3.715	4	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Ru)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<5>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Ru){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>,2|C<4>}	119.1912	1.023	6	119.1912	1.046	6	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Se)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Se<1>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Se){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.9213	0.353	4	118.9213	0.124	4	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Si)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Si<3>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Si){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	119.3415	1.052	12	119.3090	1.592	26	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Si)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Si<4>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Si){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	119.2811	1.457	14	119.3090	1.592	26	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Sn)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Sn<3>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Sn){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.6785	0.093	2	118.6785	0.009	2	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Ti)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ti<4>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Ti){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	119.8125	2.021	4	119.5010	1.883	8	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Ti)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ti<5>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Ti){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	119.1895	0.224	4	119.5010	1.883	8	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]H){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	118.9890	0.489	2	118.9890	0.239	2	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.2800	0.447	2	118.2800	0.200	2	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]Li)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Li<7>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]Li){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.8510	0.112	2	118.8510	0.012	2	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]Ru)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<6>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]Ru){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	118.8180	0.000	1	118.8180	0.000	1	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]Ru)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<6>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]Ru){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	118.7940	0.000	1	118.7940	0.000	1	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Al)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Al<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Al){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.5530	0.339	4	118.5530	0.115	4	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Al)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Al<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Al){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	118.6570	0.698	8	118.6570	0.487	8	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<2>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	119.0190	1.607	2	118.8813	0.758	10	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<3>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	119.0510	1.708	2	118.8813	0.758	10	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.7788	0.482	6	118.8813	0.758	10	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<3>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>,2|C<4>}	118.7882	1.034	10	118.7882	1.068	10	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<2>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	119.2835	1.169	2	119.0409	0.537	21	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<3>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	118.8714	0.841	7	119.0409	0.537	21	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	119.0650	0.426	2	119.0409	0.537	21	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	119.1062	0.713	10	119.0409	0.537	21	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Br)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Br){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	118.5000	0.526	8	118.5000	0.277	8	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.4278	0.855	19	118.4242	0.544	37	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.7900	1.105	2	118.4242	0.544	37	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C){1|P<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.2770	1.334	2	118.4242	0.544	37	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.3880	0.487	14	118.4242	0.544	37	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	119.3151	1.992	16	119.3151	3.968	16	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Co)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Co<3>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Co){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.3510	0.542	2	118.4288	0.311	6	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Co)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Co<5>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Co){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.4677	0.644	4	118.4288	0.311	6	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Co)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Co<2>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Co){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	119.1184	0.358	8	119.1450	0.248	36	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Co)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Co<3>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Co){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	119.1875	0.562	16	119.1450	0.248	36	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Co)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Co<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Co){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	119.0092	0.542	8	119.1450	0.248	36	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Co)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Co<5>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Co){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	119.3000	0.487	4	119.1450	0.248	36	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Cu)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Cu<3>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Cu){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.7271	0.941	8	118.7271	0.886	8	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Fe)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Fe<3>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Fe){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.7418	0.648	6	118.7475	0.609	34	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Fe)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Fe<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Fe){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.6809	0.446	16	118.7475	0.609	34	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Fe)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Fe<5>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Fe){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.8745	0.547	8	118.7475	0.609	34	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Fe)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Fe<6>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Fe){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.7685	2.059	4	118.7475	0.609	34	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Fe)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Fe<3>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Fe){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>,2|C<4>}	118.7310	1.214	8	118.7310	1.475	8	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Fe)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Fe<3>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Fe){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	119.3390	0.827	8	119.0922	0.320	70	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Fe)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Fe<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Fe){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	119.0383	0.523	54	119.0922	0.320	70	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Fe)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Fe<5>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Fe){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	119.1713	0.614	4	119.0922	0.320	70	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Fe)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Fe<6>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Fe){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	119.2475	0.535	4	119.0922	0.320	70	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ga)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ga<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ga){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.5800	2.005	2	118.6343	0.353	26	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ga)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ga<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ga){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.6388	0.456	24	118.6343	0.353	26	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ga)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ga<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ga){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	118.9405	0.842	4	118.9709	0.228	28	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ga)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ga<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ga){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	118.9759	0.419	24	118.9709	0.228	28	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(CH3){2|C<3>,3|C<4>}	118.2030	0.668	4	118.2030	0.447	4	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	117.8875	1.135	2	118.2497	0.437	34	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.1990	1.017	2	118.2497	0.437	34	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.2772	0.639	30	118.2497	0.437	34	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>,2|C<4>}	118.3125	0.351	4	118.3125	0.123	4	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	118.6250	0.626	8	118.7857	0.616	46	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){1|Pd<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	119.2936	1.074	8	118.7857	0.616	46	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	118.8800	0.757	6	118.7857	0.616	46	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	118.6188	0.758	20	118.7857	0.616	46	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	118.7840	0.283	4	118.7857	0.616	46	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]In)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|In<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]In){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.9985	0.389	4	118.9985	0.151	4	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]In)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|In<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]In){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	118.9527	0.581	12	118.9527	0.337	12	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ir)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ir<6>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ir){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|O<2>,2|C<3>,2|C<4>}	118.8960	1.732	4	118.8960	3.001	4	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ir)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ir<5>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ir){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	119.4301	1.076	22	119.4301	1.157	22	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Li)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Li<7>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Li){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.9960	0.013	2	118.9960	0.000	2	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Mg)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Mg<6>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Mg){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.8705	0.148	4	118.8705	0.022	4	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]N){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.6011	0.710	8	118.6011	0.505	8	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]N){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	119.1003	0.642	4	119.1003	0.412	4	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ni)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<2>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ni){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.7338	0.699	6	118.9091	0.743	38	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ni)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<3>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ni){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.7880	0.837	6	118.9091	0.743	38	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ni)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ni){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.8050	0.830	6	118.9091	0.743	38	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ni)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ni){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|O<2>,2|C<3>,2|C<4>}	119.4255	1.276	4	118.9091	0.743	38	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ni)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<5>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ni){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.9920	0.828	4	118.9091	0.743	38	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ni)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<7>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ni){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.9096	0.941	12	118.9091	0.743	38	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ni)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<5>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ni){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]CH){2|C<3>,3|C<4>}	119.4045	0.942	4	119.4045	0.888	4	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ni)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<7>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ni){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	119.1538	0.695	4	119.1538	0.483	4	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|P<2>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.8497	0.827	12	118.7445	0.594	16	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|P<4>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.4290	0.532	4	118.7445	0.594	16	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|P<2>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	119.0508	1.035	12	118.9686	0.759	20	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|P<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	118.8451	0.590	8	118.9686	0.759	20	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pd<2>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.8550	0.559	7	118.8106	0.988	124	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pd<3>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.3975	0.964	8	118.8106	0.988	124	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd){1|H<1>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.9000	0.409	2	118.8106	0.988	124	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.8395	1.029	101	118.8106	0.988	124	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){2|C<4>,3|C<3>}	118.4755	2.070	2	118.8106	0.988	124	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pd<5>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.9518	0.592	4	118.8106	0.988	124	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pd<5>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]CH){2|C<3>,3|C<4>}	119.2485	1.048	4	119.2485	1.098	4	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	118.7576	0.993	8	118.9600	0.944	22	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	119.0756	0.977	14	118.9600	0.944	22	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pt)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pt<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pt){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	119.3650	0.523	12	119.3650	0.273	12	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pt)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pt<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pt){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	119.0500	0.837	4	119.0500	0.701	4	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Re)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Re<5>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Re){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	118.7180	1.681	4	118.9714	1.148	10	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Re)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Re<6>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Re){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	119.1403	0.535	6	118.9714	1.148	10	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Rh)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Rh<5>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Rh){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.7130	1.019	4	118.7130	1.038	4	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Rh)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Rh<6>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Rh){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	119.4830	1.259	4	119.4830	1.584	4	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<5>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.8625	1.017	4	118.8704	0.718	34	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<5>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.8855	0.855	24	118.8704	0.718	34	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<8>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.9573	0.845	4	118.8704	0.718	34	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<9>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.5320	1.161	2	118.8704	0.718	34	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	119.0936	0.738	8	119.0725	0.765	376	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<5>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	118.8523	0.728	12	119.0725	0.765	376	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<5>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	119.0842	0.898	281	119.0725	0.765	376	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<6>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	119.1750	0.417	2	119.0725	0.765	376	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<6>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	119.0253	0.793	61	119.0725	0.765	376	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<9>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	119.2276	1.060	12	119.0725	0.765	376	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|S<1>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]S){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	119.2030	1.131	2	119.2030	1.280	2	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|S<2>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]S){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	118.8160	0.477	8	118.8160	0.227	8	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Se)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Se<1>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Se){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.2818	1.242	4	118.5946	0.686	22	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Se)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Se<1>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Se){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|O<2>,2|C<3>,2|C<4>}	119.0770	0.700	4	118.5946	0.686	22	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Se)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Se<2>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Se){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.5461	0.732	14	118.5946	0.686	22	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Se)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Se<1>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Se){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	118.8977	0.584	6	118.9137	0.232	18	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Se)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Se<2>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Se){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	118.8951	0.387	8	118.9137	0.232	18	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Se)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Se<3>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Se){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	118.9750	0.627	4	118.9137	0.232	18	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]U)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|U<8>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]U){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	119.1070	0.321	2	119.1070	0.103	2	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]U)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|U<8>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]U){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	119.4190	0.402	2	119.4190	0.161	2	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Zn)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Zn<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Zn){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	119.2585	0.940	4	119.1214	0.712	8	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Zn)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Zn<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Zn){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	118.9843	0.853	4	119.1214	0.712	8	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<2>,1|S<1>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]S){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	119.0307	0.801	12	119.0307	0.642	12	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]Se)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Se<1>,1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]Se){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	118.9850	0.947	4	118.9850	0.898	4	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]HO)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]HO)(C[5]C[5]O){1|O<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	118.8029	0.732	8	118.8029	0.535	8	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]HS)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]HS)(C[5]C[5]O){1|O<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	119.2057	0.642	4	119.2057	0.413	4	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	124.2650	0.066	2	124.2650	0.004	2	119.0290	0.988	1561	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	120.9310	0.000	1	120.6895	0.117	2	120.6895	0.117	2	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	120.4480	0.000	1	120.6895	0.117	2	120.6895	0.117	2	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Mn)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Mn)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(N[5]C[5]2){1|Mn<6>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Mn){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Mn){1|C<4>,2|C<3>,2|H<1>}	121.7600	0.139	2	121.7600	0.019	2	122.8269	0.700	13	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pt)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Pt)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(N[5]C[5]2){1|Pt<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pt){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Pt){1|C<4>,2|C<3>,2|H<1>}	123.0600	0.752	2	123.0600	0.566	2	122.8269	0.700	13	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pt)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PPtCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(N[5]C[5]2){1|Pt<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pt){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PPtCC){1|C<4>,2|C<3>,2|H<1>}	123.9875	0.556	2	123.9875	0.310	2	122.8269	0.700	13	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Re)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Re)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(N[5]C[5]2){1|Re<6>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Re){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Re){1|C<4>,2|C<3>,2|H<1>}	122.5000	0.682	4	122.5000	0.466	4	122.8269	0.700	13	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Rh)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PRhCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(N[5]C[5]2){1|Rh<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Rh){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PRhCC){1|C<4>,2|C<3>,2|H<1>}	123.0450	0.481	3	123.0450	0.231	3	122.8269	0.700	13	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:S-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(SO3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(N[5]C[5]2){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(SO3){1|C<4>,2|C<3>,2|H<1>}	122.1360	1.436	4	122.1360	2.061	4	122.1360	2.061	4	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	B[5]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|C<4>,3|H<1>,4|C<3>}	N[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]2){2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<3>,1|H<1>,2|C<4>}	119.5365	1.060	2	119.5365	1.124	2	119.5345	0.674	4	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	B[5]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](B[5]N[5,5a]C[6a])(C[5]C[5,5a]CH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[5](B[5]N[5,5a]C[6a])(C[5]C[5,5a]CH)(C[6a]C[6a]2){2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<3>,1|H<1>,2|C<4>}	119.5325	0.948	2	119.5325	0.899	2	119.5345	0.674	4	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:Ga[5,5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ga[5,5]C[5,5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5,5]N[5]O[5]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ga[5,5]C[5,5])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,2|O<2>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5,5]N[5]O[5]2)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	118.9240	0.770	4	118.9240	0.593	4	118.9240	0.593	4	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:Ga[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]C[5]N[5]I)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2{1|I<1>,1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]C[5]N[5]I)(C[6a]C[6a]2){1|N<3>,2|C<4>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	120.0657	0.423	4	120.0657	0.179	4	119.5627	0.715	40	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:Ga[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]C[5]N[5]P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2{1|N<3>,1|P<2>,2|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]C[5]N[5]P)(C[6a]C[6a]2){1|N<3>,2|C<4>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	120.0135	1.065	4	119.9321	0.704	8	119.5627	0.715	40	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:Ga[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]C[5]N[5]P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2{1|N<3>,1|P<2>,2|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]C[5]N[5]P)(C[6a]C[6a]2){2|C<4>,2|N<3>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	119.8508	0.700	4	119.9321	0.704	8	119.5627	0.715	40	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:Ga[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]Ga[5]N[5]I)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2{1|Ga<4>,1|I<1>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]Ga[5]N[5]I)(C[6a]C[6a]2){1|I<1>,2|C<4>,2|N<3>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	118.8392	0.401	4	118.8392	0.160	4	119.5627	0.715	40	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:Ga[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]II)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,2|I<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]II)(C[6a]C[6a]2){2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	118.5968	0.815	4	118.5968	0.664	4	119.5627	0.715	40	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:Ga[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]NO)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2{1|N<2>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]NO)(C[6a]C[6a]2){2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	119.9845	0.219	4	119.9845	0.048	4	119.5627	0.715	40	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:Ga[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]N[6]I)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2{1|I<1>,2|H<1>,2|N<3>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]N[6]I)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	119.7670	0.537	2	119.7670	0.289	2	119.5627	0.715	40	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:Ga[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]N[6]P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2{1|P<2>,2|H<1>,2|N<3>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]N[6]P)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	119.7639	0.609	10	119.7639	0.371	10	119.5627	0.715	40	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:Ga[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]OO)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,2|O<2>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]OO)(C[6a]C[6a]2){2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	118.9830	1.376	4	118.9830	1.893	4	119.5627	0.715	40	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:In[4,5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6a]In[4,5])(C[6a]C[6a]C)2	N[5](C[5,6a]C[5,6a]C[6a])(In[4,5]O[4,5]2C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,6a]In[4,5])(C[6a]C[6a]C)2{1|C<4>,2|H<1>,2|O<3>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(In[4,5]O[4,5]2C)(C[6a]C[6a]2){1|In<4>,1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|In<4>,1|C<4>,1|H<1>,2|C<3>}	119.9535	0.934	4	119.9535	0.871	4	119.9535	0.871	4	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:In[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6a]In[5])(C[6a]C[6a]C)2	N[5](C[5,6a]C[5,6a]C[6a])(In[5]O[5]Cl2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,6a]In[5])(C[6a]C[6a]C)2{2|Cl<1>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(In[5]O[5]Cl2)(C[6a]C[6a]2){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|In<4>,1|C<4>,1|H<1>,2|C<3>}	119.7650	0.626	2	119.7650	0.392	2	119.8730	0.344	6	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:In[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6a]In[5])(C[6a]C[6a]C)2	N[5](C[5,6a]C[5,6a]C[6a])(In[5]O[5]II)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,6a]In[5])(C[6a]C[6a]C)2{1|O<2>,2|H<1>,2|I<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(In[5]O[5]II)(C[6a]C[6a]2){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|In<4>,1|C<4>,1|H<1>,2|C<3>}	119.8575	1.126	2	119.8575	1.269	2	119.8730	0.344	6	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:In[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6a]In[5])(C[6a]C[6a]C)2	N[5](C[5,6a]C[5,6a]C[6a])(In[5]O[5]IN)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,6a]In[5])(C[6a]C[6a]C)2{1|I<1>,1|N<4>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(In[5]O[5]IN)(C[6a]C[6a]2){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|In<4>,1|C<4>,1|H<1>,2|C<3>}	119.9965	0.047	2	119.9965	0.002	2	119.8730	0.344	6	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:Si[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]C)2	N[5](C[5]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]C)2{2|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]2){1|Si<4>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	119.4940	0.577	2	119.4940	0.333	2	119.5043	0.532	13	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:Si[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]C)2	N[5](C[5]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH)	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]C)2{2|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]2){1|Si<4>,1|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH){1|Si<4>,1|H<1>,3|C<3>}	119.1220	0.000	1	119.3909	0.844	7	119.5043	0.532	13	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:Si[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]C)2	N[5](C[5]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH)	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]C)2{2|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]2){1|Si<4>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	119.4357	0.998	6	119.3909	0.844	7	119.5043	0.532	13	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:Si[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]C)2	N[5](C[5]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]C)2{2|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]2){1|Si<4>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	119.5275	0.224	2	119.7080	0.242	4	119.5043	0.532	13	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:Si[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]C)2	N[5](C[5]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]C)2{2|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]2){1|Si<4>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|Si<4>,2|C<3>,2|C<4>}	119.8885	0.739	2	119.7080	0.242	4	119.5043	0.532	13	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:B[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]B)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|B<3>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<3>,1|H<1>,2|C<4>}	119.5467	0.989	6	119.5467	0.978	6	119.3854	0.516	32	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:B[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]Br)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|Br<1>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]Br){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<3>,1|H<1>,2|C<4>}	119.0680	0.609	4	118.8346	0.263	8	119.3854	0.516	32	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:B[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]Br)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|Br<1>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]Br){1|B<4>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<3>,1|H<1>,2|C<4>}	118.7565	0.445	2	118.8346	0.263	8	119.3854	0.516	32	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:B[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]Br)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|Br<1>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]Br){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<3>,1|H<1>,2|C<4>}	118.4460	0.017	2	118.8346	0.263	8	119.3854	0.516	32	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:B[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<3>,1|H<1>,2|C<4>}	119.6220	0.835	4	119.4747	0.213	12	119.3854	0.516	32	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:B[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<3>,1|H<1>,2|C<4>}	119.4010	0.133	8	119.4747	0.213	12	119.3854	0.516	32	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:B[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]Li)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|Li<3>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]Li){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<3>,1|H<1>,2|C<4>}	119.9100	0.611	4	119.9100	0.373	4	119.3854	0.516	32	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:B[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<3>,1|H<1>,2|C<4>}	119.5195	1.406	2	119.5195	1.978	2	119.3854	0.516	32	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:P[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,1|P<3>,2|C<4>}	119.8475	0.541	8	119.8475	0.293	8	119.4226	0.660	46	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:P[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Cl)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Cl){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,1|P<3>,2|C<4>}	119.1593	0.704	4	119.1593	0.496	4	119.4226	0.660	46	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:P[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Cl)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Cl){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|P<3>,3|C<4>}	119.5760	0.417	2	119.5760	0.174	2	119.4226	0.660	46	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:P[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Co)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|Co<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Co){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|P<3>,3|C<4>}	119.3543	1.013	4	119.3543	1.026	4	119.4226	0.660	46	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:P[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]N){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,1|P<3>,2|C<4>}	119.4308	0.269	4	119.4308	0.073	4	119.4226	0.660	46	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:P[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Ni)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|Ni<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Ni){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|P<3>,3|C<4>}	118.9969	0.868	8	118.9969	0.753	8	119.4226	0.660	46	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:P[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,1|P<3>,2|C<4>}	119.5692	0.641	4	119.5692	0.411	4	119.4226	0.660	46	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:P[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Pt)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|Pt<3>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Pt){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|P<3>,3|C<4>}	119.9935	0.636	4	119.9935	0.405	4	119.4226	0.660	46	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:P[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|C<3>,1|C<4>,1|N<3>,1|S<2>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]S){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,1|P<3>,2|C<4>}	119.0832	0.904	4	119.0832	0.818	4	119.4226	0.660	46	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:P[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]W)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|C<3>,1|C<4>,1|N<3>,1|W<8>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]W){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|P<3>,3|C<4>}	119.2933	1.567	4	119.2933	2.457	4	119.4226	0.660	46	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:P[5]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Co)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Co)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Co<5>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Co){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Co){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	123.5395	0.015	2	123.5395	0.000	2	122.7826	3.788	11	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:P[5]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Ni)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Ni)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Ni<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Ni){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Ni){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	122.3079	2.344	7	122.3079	5.496	7	122.7826	3.788	11	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:P[5]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Pt)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Pt)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Pt<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Pt){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Pt){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	123.6875	0.738	2	123.6875	0.544	2	122.7826	3.788	11	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](P[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{4|C<3>,4|H<1>}	N[5](P[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]2){2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,1|P<3>,2|C<4>}	119.4295	0.100	2	119.4295	0.010	2	119.4295	0.010	2	119.1365	1.204	1762	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[5,6a]C[6a])(C[5]C[5]HH)2	C[6a](C[6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	N[5](C[6a]C[5,6a]C[6a])(C[5]C[5]HH)2{3|C<3>,5|H<1>}	C[6a](C[6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	117.8050	0.037	2	117.8050	0.001	2	117.8050	0.001	2	121.0342	1.408	82	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]HH)2	C[6a](C[6a]C[5a,6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|N<2>,1|O<2>,2|C<4>,5|H<1>}	N[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]HH)2{1|N<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[5a,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|C<4>}	123.5130	0.000	1	123.5130	0.000	1	123.5130	0.000	1	121.0342	1.408	82	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[5]C[5]2){2|C<3>,2|C<4>,5|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{2|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	120.3680	0.000	1	120.3680	0.000	1	120.3680	0.000	1	121.0342	1.408	82	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(N[5]C[5]2){2|C<3>,2|C<4>,5|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{2|C<3>,6|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5])(H){1|H<1>,1|N<2>,2|C<3>,3|C<4>}	121.6570	0.000	1	121.6570	0.000	1	121.6570	0.000	1	121.0342	1.408	82	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[5,6a]H)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[5]C[5]2){2|C<3>,2|C<4>,5|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[5,6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	121.3400	0.000	1	121.3400	0.000	1	121.1479	1.124	72	121.0342	1.408	82	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(N[5]C[5]2){2|C<3>,2|C<4>,5|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{2|C<3>,6|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[5])(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	119.6280	0.000	1	119.6280	0.000	1	121.1479	1.124	72	121.0342	1.408	82	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]F)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|F<1>,2|C<4>,5|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]F)(H){1|H<1>,2|C<3>,2|C<4>}	118.6380	0.000	1	118.6380	0.000	1	121.1479	1.124	72	121.0342	1.408	82	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,2|C<4>,6|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{1|C<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|N<3>,2|C<4>}	119.3510	0.000	1	119.1200	0.107	2	121.1479	1.124	72	121.0342	1.408	82	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,2|C<4>,6|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	118.8890	0.000	1	119.1200	0.107	2	121.1479	1.124	72	121.0342	1.408	82	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|C<4>}	119.8430	0.000	1	119.8430	0.000	1	121.1479	1.124	72	121.0342	1.408	82	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,3|C<4>,5|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	121.3653	1.053	6	121.4114	1.135	10	121.1479	1.124	72	121.0342	1.408	82	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,3|C<4>,5|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	121.2095	1.845	2	121.4114	1.135	10	121.1479	1.124	72	121.0342	1.408	82	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,3|C<4>,5|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH){1|C<4>,3|C<3>,7|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	121.7515	0.972	2	121.4114	1.135	10	121.1479	1.124	72	121.0342	1.408	82	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|C<3>,3|C<4>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.2135	0.812	2	121.2135	0.660	2	121.1479	1.124	72	121.0342	1.408	82	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)2	C[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)2{2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	121.9860	0.526	3	121.9860	0.277	3	121.1479	1.124	72	121.0342	1.408	82	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]CO)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]CO){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.7785	0.279	2	120.7785	0.078	2	121.1479	1.124	72	121.0342	1.408	82	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,3|C<4>,5|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	121.2820	1.718	2	121.2623	0.698	16	121.1479	1.124	72	121.0342	1.408	82	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,3|C<4>,5|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.2313	0.831	8	121.2623	0.698	16	121.1479	1.124	72	121.0342	1.408	82	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,3|C<4>,5|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	121.3875	1.532	2	121.2623	0.698	16	121.1479	1.124	72	121.0342	1.408	82	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|C<3>,2|C<4>,5|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	121.1610	0.191	2	121.2623	0.698	16	121.1479	1.124	72	121.0342	1.408	82	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|C<3>,2|C<4>,5|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.3430	0.475	2	121.2623	0.698	16	121.1479	1.124	72	121.0342	1.408	82	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<2>,2|C<4>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)2{2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.7465	0.202	2	120.7465	0.041	2	121.1479	1.124	72	121.0342	1.408	82	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)2	C[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<2>,4|C<4>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)2{2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	122.0670	0.079	2	122.0670	0.006	2	121.1479	1.124	72	121.0342	1.408	82	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.8120	1.385	2	120.8120	1.917	2	121.1479	1.124	72	121.0342	1.408	82	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|C<3>,6|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.6050	1.185	2	121.6050	1.404	2	121.1479	1.124	72	121.0342	1.408	82	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.7580	4.656	2	120.7580	21.675	2	121.1479	1.124	72	121.0342	1.408	82	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,4|C<4>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,3|C<4>}	121.4210	0.221	2	121.4210	0.049	2	121.1479	1.124	72	121.0342	1.408	82	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,6|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.3555	0.446	2	121.0809	0.282	14	121.1479	1.124	72	121.0342	1.408	82	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,6|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	120.6675	0.673	4	121.0809	0.282	14	121.1479	1.124	72	121.0342	1.408	82	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,6|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	121.4000	0.247	2	121.0809	0.282	14	121.1479	1.124	72	121.0342	1.408	82	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,6|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	121.2032	0.402	4	121.0809	0.282	14	121.1479	1.124	72	121.0342	1.408	82	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,6|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.0690	0.686	2	121.0809	0.282	14	121.1479	1.124	72	121.0342	1.408	82	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<2>,2|C<4>,6|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	121.9825	0.131	2	121.9825	0.017	2	121.1479	1.124	72	121.0342	1.408	82	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]HH){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	121.1300	0.639	4	121.1300	0.409	4	121.1479	1.124	72	121.0342	1.408	82	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,4|H<1>,6|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)2{1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	122.2720	0.000	1	122.2720	0.000	1	121.1479	1.124	72	121.0342	1.408	82	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:P[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]CO)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]CO){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	120.5075	0.253	4	120.5075	0.064	4	120.5075	0.064	4	121.0342	1.408	82	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:S[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]N[5]OO)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](N[5]C[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|O<1>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]N[5]OO){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|O<2>,1|S<4>,3|C<3>}	118.9750	0.000	1	118.9750	0.000	1	118.9750	0.000	1	121.0342	1.408	82	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:2:	C[6,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(N[5]C[5]2)	N[5](C[6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[6a](C[6a]C[6,6a]N[5])(C[6a]O[6a]O)(CN)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(N[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,6|H<1>}	N[5](C[6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|C<2>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6,6a]N[5])(C[6a]O[6a]O)(CN){1|C<3>,3|C<4>}	123.7300	0.342	2	123.7300	0.117	2	123.7300	0.117	2	123.3828	1.671	5	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,2|C<4>,6|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{1|C<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	124.5060	0.000	1	124.5060	0.000	1	124.5060	0.000	1	123.3828	1.671	5	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	123.7800	0.000	1	123.7800	0.000	1	123.7800	0.000	1	123.3828	1.671	5	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:2:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:S[5]-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](N[5]C[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]N[5]OO)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](N[5]C[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|O<1>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(S[5]N[5]OO){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	121.1680	0.000	1	121.1680	0.000	1	121.1680	0.000	1	123.3828	1.671	5	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,2|C<4>,6|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	124.2540	0.000	1	124.2540	0.000	1	124.0430	0.089	2	122.8712	5.275	5	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|F<1>,2|C<4>,5|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCO){1|C<3>,2|C<4>,2|H<1>}	123.8320	0.000	1	123.8320	0.000	1	124.0430	0.089	2	122.8712	5.275	5	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]N)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]N)2(N[5]C[5]2){1|C<3>,3|C<4>,5|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|N<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO){1|C<3>,2|C<4>,2|N<3>}	123.4885	2.167	2	123.4885	4.697	2	123.4885	4.697	2	122.8712	5.275	5	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,4|H<1>,6|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)2{1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,4|H<1>,6|C<4>}	119.2930	0.000	1	119.2930	0.000	1	119.2930	0.000	1	122.8712	5.275	5	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]BH)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<3>,1|C<3>,3|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]BH)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,3|C<4>}	120.5475	2.150	2	120.5475	4.624	2	120.1433	2.849	12	120.0271	2.415	16	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HO)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HO){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,3|C<4>}	120.0408	0.612	4	120.0408	0.375	4	120.1433	2.849	12	120.0271	2.415	16	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,3|C<4>,5|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|O<2>,3|C<4>}	120.1325	3.420	2	120.1325	11.698	2	120.1433	2.849	12	120.0271	2.415	16	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HO)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HO){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<3>,4|C<4>}	120.0493	2.120	4	120.0493	4.495	4	120.1433	2.849	12	120.0271	2.415	16	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:P[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]NW)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|W<6>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]NW){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|P<4>,3|C<4>}	119.6785	1.190	4	119.6785	1.416	4	119.6785	1.416	4	120.0271	2.415	16	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:5:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:Ga[5,5]-5:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6a]Ga[5,5])(C[6a]C[6a]C)2	N[5](C[5,6a]C[5,6a]C[6a])(Ga[5,5]N[5]O[5]2N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,6a]Ga[5,5])(C[6a]C[6a]C)2{1|N<2>,1|N<3>,2|H<1>,2|O<2>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(Ga[5,5]N[5]O[5]2N)(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<5>,1|C<4>,1|H<1>,2|C<3>}	119.0157	0.498	8	119.0157	0.248	8	119.0157	0.248	8	119.1907	0.348	10	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:5:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:In[5]-5:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6a]In[5])(C[6a]C[6a]C)2	N[5](C[5,6a]C[5,6a]C[6a])(In[5]O[5]Cl2N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,6a]In[5])(C[6a]C[6a]C)2{2|Cl<1>,1|N<4>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(In[5]O[5]Cl2N)(C[6a]C[6a]2){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|In<5>,1|C<4>,1|H<1>,2|C<3>}	119.8905	0.409	2	119.8905	0.168	2	119.8905	0.168	2	119.1907	0.348	10	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:6:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:Ga[3x5]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]Ga[3x5]C[5,5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5,5])(Ga[3x5]N[5]5)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](N[5]Ga[3x5]C[5,5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,5|N<3>}	N[5](C[5,5]C[5,6a]C[5,5])(Ga[3x5]N[5]5)(C[6a]C[6a]2){14|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|Ga<6>,2|C<3>,2|H<1>}	119.4075	0.963	12	119.4075	0.928	12	119.4075	0.928	12	119.6170	2.655	26	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:6:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:In[5,5]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]In[5,5]C[5,5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5,5])(In[5,5]N[5]3Cl2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]In[5,5]C[5,5])(C[6a]C[6a]H)2{2|Cl<1>,2|H<1>,3|C<3>,3|N<3>}	N[5](C[5,5]C[5,6a]C[5,5])(In[5,5]N[5]3Cl2)(C[6a]C[6a]2){10|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|In<6>,1|H<1>,1|O<2>,2|C<3>}	119.8896	2.251	8	119.8896	5.068	8	119.8896	5.068	8	119.6170	2.655	26	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:6:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:Ga[3x5]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]Ga[3x5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(Ga[3x5]N[5]2O[5]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](N[5]C[5,6a]Ga[3x5])(C[6a]C[6a]H)2{2|C<4>,2|N<3>,3|C<3>,3|O<2>}	N[5](C[5,6a]C[5,6a]C[6a])(Ga[3x5]N[5]2O[5]3)(C[6a]C[6a]2){10|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|Ga<6>,2|C<3>,2|H<1>}	119.6725	1.978	6	119.6725	3.912	6	119.6725	3.912	6	119.6170	2.655	26	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:6:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:Ga[5]-6:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]Fe2SS)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2{2|Fe<6>,1|N<3>,2|H<1>,2|S<3>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]Fe2SS)(C[6a]C[6a]2){2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<6>,1|C<4>,1|H<1>,2|C<3>}	118.8500	0.083	4	118.8500	0.007	4	118.8500	0.007	4	119.0270	0.561	8	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	3:6:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:In[5]-6:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5]In[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,6a]C[5,5])(In[5]N[5]O[5]Cl3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5,5]In[5])(C[6a]C[6a]C)2{3|Cl<1>,1|N<3>,1|O<3>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(In[5]N[5]O[5]Cl3)(C[6a]C[6a]2){4|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|In<6>,2|C<3>,2|C<4>}	119.2040	1.104	4	119.2040	1.220	4	119.2040	1.220	4	119.0270	0.561	8	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:2:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:O[5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5,6]C[6a]H)(O[5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5,5,6]C[6a]H)(O[5]C[5,5,6])(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	120.6125	4.082	2	120.6125	16.664	2	120.6125	16.664	2	120.6125	16.664	2	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	B[5,5a]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]B[5,5a]N[5])(C[6a]C[6a]H)2	N[5](B[5,5a]C[5,6a]O[5a]2)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]B[5,5a]N[5])(C[6a]C[6a]H)2{2|H<1>,2|O<2>,3|C<3>}	N[5](B[5,5a]C[5,6a]O[5a]2)(C[6a]C[6a]2)(N[5]C[5,6a]){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<2>,2|H<1>}	119.9017	1.475	4	119.9017	2.177	4	119.9017	2.177	4	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	B[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]B[5]N[5])(C[6a]C[6a]H)2	N[5](B[5]C[5,6a]C[6a]2)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]B[5]N[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5](B[5]C[5,6a]C[6a]2)(C[6a]C[6a]2)(N[5]C[5,6a]){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<2>,2|H<1>}	119.3865	1.774	2	119.3865	3.148	2	119.3865	3.148	2	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5,6]N[5])(C[6a]C[6a]H)2	N[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5,6]N[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(N[5]C[5]){3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.6860	0.537	2	120.6860	0.289	2	120.6860	0.289	2	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|Cl<1>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	123.1300	0.000	1	123.1300	0.000	1	123.1300	0.000	1	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|Cl<1>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	118.9640	0.000	1	118.9640	0.000	1	120.4887	1.632	37	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.0618	0.738	4	120.1492	0.367	6	120.4887	1.632	37	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){3|C<3>,3|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.3240	0.335	2	120.1492	0.367	6	120.4887	1.632	37	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.6825	0.105	2	120.6578	1.329	8	120.4887	1.632	37	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	120.7820	1.744	2	120.6578	1.329	8	120.4887	1.632	37	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.5832	1.438	4	120.6578	1.329	8	120.4887	1.632	37	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5]){1|N<2>,1|S<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.4620	1.573	2	120.5964	1.729	8	120.4887	1.632	37	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5]){1|N<3>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.5905	2.136	2	120.5964	1.729	8	120.4887	1.632	37	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5]){1|N<2>,1|S<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.4970	1.670	2	120.5964	1.729	8	120.4887	1.632	37	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5]){1|N<3>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.8360	1.452	2	120.5964	1.729	8	120.4887	1.632	37	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]){1|Br<1>,1|N<2>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.4630	0.808	2	120.6644	1.782	8	120.4887	1.632	37	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|N<2>,1|N<3>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.5595	0.723	2	120.6644	1.782	8	120.4887	1.632	37	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]){1|O<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	120.6565	1.257	2	120.6644	1.782	8	120.4887	1.632	37	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.9785	3.070	2	120.6644	1.782	8	120.4887	1.632	37	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]N[5]S[5]2)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>,2|S<2>}	N[5](C[5,5]N[5]S[5]2)(C[6a]C[6a]2)(N[5]C[5]){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.5125	1.703	4	120.4792	3.891	6	120.4887	1.632	37	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]N[5]S[5]2)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>,2|S<2>}	N[5](C[5,5]N[5]S[5]2)(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.4125	3.277	2	120.4792	3.891	6	120.4887	1.632	37	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5,6])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,5]C[5,5]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5,6]){1|N<3>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.8705	3.748	2	120.8705	14.050	2	120.3359	4.269	10	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H)	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.5530	0.000	1	122.5530	0.000	1	120.3359	4.269	10	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.3265	3.491	2	119.4887	8.199	3	120.3359	4.269	10	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	117.8130	0.000	1	119.4887	8.199	3	120.3359	4.269	10	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5a]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,5]C[5,5a]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.3520	0.055	2	120.3520	0.003	2	120.3359	4.269	10	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	119.9475	0.152	2	119.9475	0.023	2	120.3359	4.269	10	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.3910	1.598	2	120.3910	2.554	2	120.5121	1.087	14	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5]){1|Br<1>,2|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.5425	0.060	2	120.4425	1.136	6	120.5121	1.087	14	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5]){5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.8085	1.315	2	120.4425	1.136	6	120.5121	1.087	14	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5]){1|O<1>,1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	119.9765	1.797	2	120.4425	1.136	6	120.5121	1.087	14	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5]C[6]N[6])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,6]C[5]C[6]N[6])(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.7850	0.629	2	120.7850	0.396	2	120.5121	1.087	14	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5a,6]N[6]S[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|H<1>,3|C<3>}	N[5](C[5,6]C[5a,6]N[6]S[5])(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.4495	2.251	2	120.4495	5.066	2	120.5121	1.087	14	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6,6a]2C[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6]C[6,6a]2C[5])(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.6320	0.438	2	120.6320	0.192	2	120.5121	1.087	14	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]O[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	119.9080	3.490	4	120.1950	5.471	8	120.1950	5.471	8	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]O[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.4820	0.604	4	120.1950	5.471	8	120.1950	5.471	8	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.6160	1.984	2	120.6160	3.937	2	120.4942	0.882	123	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6]CC)(C[6a]C[6a]2)(N[5]C[5,6])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	N[5](C[5]C[5,6]CC)(C[6a]C[6a]2)(N[5]C[5,6]){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.4830	2.455	4	120.4830	6.028	4	120.4942	0.882	123	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,6])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,6]){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<4>}	120.6190	0.345	2	120.6190	0.119	2	120.4942	0.882	123	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5]CeO)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ce<13>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5]C[5]CeO)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|P<5>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	120.3445	1.464	6	120.2430	1.724	8	120.4942	0.882	123	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5]CeO)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ce<16>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5]C[5]CeO)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|P<5>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	119.9385	1.053	2	120.2430	1.724	8	120.4942	0.882	123	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5]GdO)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Gd<14>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5]C[5]GdO)(C[6a]C[6a]2)(N[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.0785	1.066	4	120.0785	1.135	4	120.4942	0.882	123	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5]TbO)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Tb<14>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5]C[5]TbO)(C[6a]C[6a]2)(N[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	119.3343	1.186	3	119.3343	1.406	3	120.4942	0.882	123	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5]TmO)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|Tm<14>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5]C[5]TmO)(C[6a]C[6a]2)(N[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.0160	1.510	4	120.0160	2.280	4	120.4942	0.882	123	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.9340	0.000	1	120.7293	0.183	9	120.4942	0.882	123	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	120.6610	0.860	2	120.7293	0.183	9	120.4942	0.882	123	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.7770	0.505	2	120.7293	0.183	9	120.4942	0.882	123	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.6885	0.367	4	120.7293	0.183	9	120.4942	0.882	123	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.5570	0.000	1	120.5570	0.000	1	120.4942	0.882	123	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]2C[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]2C[5])(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.6355	0.924	2	120.6355	0.854	2	120.4942	0.882	123	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]N[5]){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	120.6670	0.040	2	120.6670	0.002	2	120.4942	0.882	123	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.8920	0.000	1	120.5972	0.359	73	120.4942	0.882	123	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.7575	0.405	2	120.5972	0.359	73	120.4942	0.882	123	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.7540	0.341	2	120.5972	0.359	73	120.4942	0.882	123	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|N<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.2785	0.605	2	120.5972	0.359	73	120.4942	0.882	123	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	120.3065	0.798	2	120.5972	0.359	73	120.4942	0.882	123	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	120.5502	0.719	6	120.5972	0.359	73	120.4942	0.882	123	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	120.6680	0.441	4	120.5972	0.359	73	120.4942	0.882	123	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	120.7290	0.187	2	120.5972	0.359	73	120.4942	0.882	123	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.5897	0.646	50	120.5972	0.359	73	120.4942	0.882	123	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	120.7980	0.438	2	120.5972	0.359	73	120.4942	0.882	123	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.4930	0.000	1	120.4930	0.000	1	120.4942	0.882	123	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	120.2977	0.770	4	120.2809	3.463	8	120.4942	0.882	123	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.2640	2.736	4	120.2809	3.463	8	120.4942	0.882	123	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,5]){3|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.2340	1.327	2	120.2340	1.760	2	120.1989	6.023	24	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,6])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[5]C[5,6]){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<2>}	120.2040	5.679	2	120.2040	32.257	2	120.1989	6.023	24	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.1925	1.793	2	120.1925	3.213	2	120.1989	6.023	24	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]2N[5])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]2N[5])(C[6a]C[6a]2)(O[5]C[5]){1|Pd<4>,1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	119.9180	4.970	2	119.8380	15.472	6	120.1989	6.023	24	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]2N[5])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]2N[5])(C[6a]C[6a]2)(O[5]C[5]){1|Pt<4>,1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	119.7955	4.795	2	119.8380	15.472	6	120.1989	6.023	24	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]2N[5])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]2N[5])(C[6a]C[6a]2)(O[5]C[5]){1|Pt<4>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	119.8005	5.445	2	119.8380	15.472	6	120.1989	6.023	24	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,5]){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.3240	0.587	2	120.3240	0.344	2	120.1989	6.023	24	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.3390	2.602	2	120.3837	2.493	10	120.1989	6.023	24	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.4567	1.534	4	120.3837	2.493	10	120.1989	6.023	24	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.3670	2.099	2	120.3837	2.493	10	120.1989	6.023	24	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){2|S<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	120.2990	2.041	2	120.3837	2.493	10	120.1989	6.023	24	120.4383	1.870	225	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]){1|H<1>,2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<2>,1|C<3>,3|C<4>}	119.4820	0.257	4	119.4820	0.066	4	119.4820	0.066	4	119.7050	0.241	8	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Si[5]-4:C[6a]-3:Ge[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ge[5]Si[5])(C[6a]C[6a]C)2	N[5](Si[5]Si[5]CC)(C[6a]C[6a]2)(Ge[5]N[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ge[5]Si[5])(C[6a]C[6a]C)2{1|Si<4>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[5](Si[5]Si[5]CC)(C[6a]C[6a]2)(Ge[5]N[5]){3|C<3>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ge<2>,1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	119.9280	0.603	4	119.9280	0.364	4	119.9280	0.364	4	119.7050	0.241	8	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:2:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	N[5](C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a])(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	N[5](C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]O){1|N<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a])(H){1|C<4>,2|C<3>,2|H<1>}	119.2970	0.000	1	119.2970	0.000	1	119.2970	0.000	1	119.2970	0.000	1	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a,6a]-3:N[5]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[5]C[5,5]C[5])(C[6a]C[6a]H)	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O){1|N<2>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	120.9605	0.414	2	120.9605	0.171	2	120.9605	0.171	2	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a,6a]-3:N[5]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[5]C[5,6]C[5])(C[6a]C[6a]H)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[5]C[5,6]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,7|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O){1|H<1>,1|N<2>,8|C<3>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	120.9090	0.000	1	120.9090	0.000	1	120.9090	0.000	1	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a,6a]-3:N[5]-3:C[6a]-3:	Se[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5]Se[5,5]C[5])(C[6a]C[6a]H)	N[5](Se[5,5]C[5,6a]2N[5])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5]Se[5,5]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	N[5](Se[5,5]C[5,6a]2N[5])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O){1|H<1>,9|C<3>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H){1|Se<4>,1|H<1>,3|C<3>}	118.3780	0.834	2	118.3780	0.696	2	118.3780	0.696	2	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5,5]2)	N[5](C[5,5]C[5,5]O[5]H)(C[5,5]N[5,5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5,5]2){1|C<3>,1|C<4>,1|N<3>,1|O<2>,1|S<2>,3|H<1>}	N[5](C[5,5]C[5,5]O[5]H)(C[5,5]N[5,5]S[5])(C[6a]C[6a]2){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.3985	2.402	2	120.3985	5.770	2	120.3985	5.770	2	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	121.9990	0.000	1	121.9990	0.000	1	121.9990	0.000	1	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5]C[5]2){1|Cl<1>,1|O<1>,3|C<3>,3|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|Cl<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	121.9630	0.000	1	121.9630	0.000	1	121.9630	0.000	1	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(N[5]C[5]2)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(N[5]C[5]2){1|C<4>,1|H<1>,1|O<1>,2|F<1>,3|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|F<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]F)(F){1|C<4>,2|C<3>,2|F<1>}	121.1800	0.252	2	121.1800	0.063	2	121.1800	0.063	2	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[5,6a]H)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[5,6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	118.8360	0.000	1	118.8360	0.000	1	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[5]C[5]2){1|O<1>,4|H<1>,5|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	118.7152	0.475	4	118.7660	0.234	6	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[5]C[5]2){1|O<1>,4|H<1>,5|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	119.3480	0.000	1	118.7660	0.234	6	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[5]C[5]2){1|O<1>,4|H<1>,5|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	118.3870	0.000	1	118.7660	0.234	6	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	118.3730	0.651	2	118.3730	0.423	2	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|O<1>,3|C<3>,4|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	119.1100	0.000	1	118.6410	0.309	5	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|O<1>,3|C<3>,4|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	118.5020	0.692	3	118.6410	0.309	5	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|O<1>,3|C<3>,4|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	118.5890	0.000	1	118.6410	0.309	5	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	118.2250	0.000	1	118.2250	0.000	1	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5]C[5]2){1|Cl<1>,1|O<1>,3|C<3>,3|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|Cl<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H){2|Cl<1>,1|C<4>,2|C<3>}	119.3430	0.000	1	119.3430	0.000	1	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	121.4000	0.000	1	121.4000	0.000	1	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[5]C[6a]O[5]C)(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]O[5]C)(C[5]C[6a]N[5])(C[6a]C[6a]2){1|H<1>,1|N<3>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.4710	0.000	1	121.4710	0.000	1	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|O<1>,3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	118.1150	0.000	1	118.1150	0.000	1	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|O<1>,3|C<3>,4|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.7120	0.669	2	120.9186	0.181	5	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|O<1>,3|C<3>,4|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|O<2>}	120.9075	0.018	2	120.9186	0.181	5	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|O<1>,3|C<3>,4|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	121.3540	0.000	1	120.9186	0.181	5	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.7320	0.000	1	121.7320	0.000	1	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.6830	0.000	1	121.6830	0.000	1	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5,6]HO)(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[5]C[5,5,6]HO)(C[5]C[5,5,6]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	120.0165	0.381	2	120.2358	0.698	12	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5,6]HO)(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[5]C[5,5,6]HO)(C[5]C[5,5,6]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.5830	0.738	2	120.2358	0.698	12	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5,6]HO)(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[5]C[5,5,6]HO)(C[5]C[5,5,6]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.0865	0.798	6	120.2358	0.698	12	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5,6]HO)(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[5]C[5,5,6]HO)(C[5]C[5,5,6]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	120.5560	1.768	2	120.2358	0.698	12	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]CH)(C[5]N[5,5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	N[5](C[5]C[5,5]CH)(C[5]N[5,5]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	120.5205	0.278	4	120.5205	0.077	4	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	N[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	120.6415	1.484	2	120.6415	2.203	2	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,3|C<3>,4|H<1>}	N[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.9685	1.715	2	120.9685	2.940	2	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5a]HN)(C[5]N[5,5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,2|C<3>,2|N<3>,3|H<1>}	N[5](C[5]C[5,5a]HN)(C[5]N[5,5a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.2940	0.875	2	120.2940	0.766	2	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.1055	1.500	4	120.4469	2.100	14	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.1325	1.525	2	120.4469	2.100	14	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.2782	1.737	4	120.4469	2.100	14	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	121.4020	2.068	2	120.4469	2.100	14	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(C[6a]C[6a]2){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	120.8260	1.417	2	120.4469	2.100	14	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6]HO)(C[5]N[5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	N[5](C[5]C[5,6]HO)(C[5]N[5,6]O)(C[6a]C[6a]2){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.0950	0.184	2	120.0950	0.034	2	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]CF)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<2>,1|F<1>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]CF)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.2480	0.511	2	120.2480	0.261	2	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<2>,1|O<1>,3|C<3>,3|H<1>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.1730	0.395	2	120.3220	0.271	12	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	120.3395	0.926	2	120.3220	0.271	12	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.3549	0.522	8	120.3220	0.271	12	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	N[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,2|C<3>,2|H<1>}	120.0615	0.209	2	120.0615	0.044	2	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.4310	1.580	2	120.4310	2.495	2	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	120.3690	0.960	6	120.4085	0.705	8	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	120.5270	0.543	2	120.4085	0.705	8	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.0222	0.662	6	120.0665	0.514	8	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	120.1995	1.166	2	120.0665	0.514	8	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,3|C<3>,4|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.7335	1.592	2	119.7335	2.534	2	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,3|C<3>,4|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.8875	2.439	2	120.3914	3.039	14	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,3|C<3>,4|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	121.6940	1.591	2	120.3914	3.039	14	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,3|C<3>,4|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.6118	1.952	6	120.3914	3.039	14	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,3|C<3>,4|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	120.6615	1.176	4	120.3914	3.039	14	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.1800	1.121	4	120.1315	0.483	10	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.4570	0.165	2	120.1315	0.483	10	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.9202	0.223	4	120.1315	0.483	10	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Pd<4>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	120.6800	0.949	4	120.6800	0.901	4	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]O)(C[5]C[5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	N[5](C[5]C[6a]C[5]O)(C[5]C[5,6]O)(C[6a]C[6a]2){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	120.7240	0.000	1	120.7240	0.000	1	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]O)(C[5]C[5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	N[5](C[5]C[6a]C[5]O)(C[5]C[5,6]O)(C[6a]C[6a]2){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	118.7750	0.000	1	118.7750	0.000	1	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]N[5,5]CC)(C[5]C[5,5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	N[5](C[5]N[5,5]CC)(C[5]C[5,5]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.9115	0.166	2	119.9115	0.028	2	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]N[5,5]C[6a]2)(C[5]N[5,5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	N[5](C[5]N[5,5]C[6a]2)(C[5]N[5,5]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.9345	1.787	2	119.9345	3.193	2	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<4>,1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]N[5,5]C[6a]H)(C[5]C[5,5]O)(C[6a]C[6a]2){1|Pd<4>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.7943	1.112	4	119.7943	1.237	4	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|N<2>,1|N<3>,2|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5])(C[6a]C[6a]2){1|H<1>,1|N<3>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.7880	0.000	1	122.7880	0.000	1	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,3|C<3>,4|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(C[6a]C[6a]2){1|Pd<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	117.5685	1.034	2	117.7851	0.606	8	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,3|C<3>,4|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(C[6a]C[6a]2){1|Pd<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|C<4>,3|C<3>}	117.3680	0.103	2	117.7851	0.606	8	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,3|C<3>,4|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(C[6a]C[6a]2){1|Pd<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Pd<4>,2|C<3>,2|C<4>}	118.1020	0.878	4	117.7851	0.606	8	120.0318	1.572	147	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(N[5]C[5]2){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H){2|H<1>,3|C<3>,3|C<4>}	119.3350	0.000	1	119.3350	0.000	1	119.3350	0.000	1	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O){1|Cl<1>,1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>,2|H<1>}	120.2850	0.000	1	120.2850	0.000	1	120.2850	0.000	1	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(N[5]C[5]2)	N[5](C[5]N[5]ClH)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(N[5]C[5]2){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|F<1>}	N[5](C[5]N[5]ClH)(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]F)(F){1|C<4>,2|C<3>,2|F<1>}	121.1630	0.283	2	121.1630	0.080	2	121.1630	0.080	2	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	117.7445	1.273	2	117.7445	1.622	2	119.9887	2.177	108	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]Rh)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[5]C[5]2){1|Rh<6>,1|C<4>,1|N<3>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]Rh){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	118.9270	1.269	2	118.9270	1.609	2	119.9887	2.177	108	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	N[5](C[5]C[5a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]O){1|N<3>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	118.4670	0.000	1	118.4670	0.000	1	119.9887	2.177	108	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.1280	0.000	1	119.1280	0.000	1	119.9887	2.177	108	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	117.6410	0.557	2	117.4500	0.265	3	119.9887	2.177	108	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	117.0680	0.000	1	117.4500	0.265	3	119.9887	2.177	108	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]Rh)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Rh<6>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]Rh){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	119.0305	1.213	2	118.5334	0.856	5	119.9887	2.177	108	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]Rh)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Rh<6>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]Rh){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	118.4700	0.000	1	118.5334	0.856	5	119.9887	2.177	108	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]Rh)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Rh<6>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]Rh){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	118.0680	1.011	2	118.5334	0.856	5	119.9887	2.177	108	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]S[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,1|S<2>,2|C<3>}	N[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]S[5]N){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|C<4>}	118.2590	0.000	1	118.2590	0.000	1	119.9887	2.177	108	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	120.1100	0.317	2	120.5860	0.730	3	119.9887	2.177	108	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	121.5380	0.000	1	120.5860	0.730	3	119.9887	2.177	108	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O){1|Cl<1>,1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	121.0680	0.000	1	121.0680	0.000	1	119.9887	2.177	108	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]N[5]C){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	119.2600	0.000	1	119.2600	0.000	1	119.9887	2.177	108	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O){2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.8880	0.000	2	121.8880	0.000	2	119.9887	2.177	108	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]N[5]PdH)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Pd<4>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]N[5]PdH)(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	117.9130	0.021	2	117.9130	0.000	2	119.9887	2.177	108	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[3,3]C[5]2)(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	N[5](C[5]C[3,3]C[5]2)(C[6a]C[6a]2)(C[5]O[5]O){1|C<2>,1|C<4>,1|H<2>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.2485	1.235	2	121.2485	1.526	2	119.9887	2.177	108	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[3,5]HH)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[5](C[5]C[3,5]HH)(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.5625	2.047	2	120.5625	4.191	2	119.9887	2.177	108	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5,6]CH)(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.4040	0.187	2	119.4040	0.035	2	119.9887	2.177	108	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.3065	2.244	2	120.3065	5.034	2	119.9887	2.177	108	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	N[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]O[5]O){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	120.8990	2.167	2	120.8990	4.694	2	119.9887	2.177	108	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5]FeC)(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Cl<1>,1|Fe<7>,1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[5](C[5]C[5]FeC)(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,2|H<1>}	120.0230	0.000	1	120.0230	0.000	1	119.9887	2.177	108	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5]FeC)(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Cl<1>,1|Fe<7>,1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[5](C[5]C[5]FeC)(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	118.9140	0.000	1	118.9140	0.000	1	119.9887	2.177	108	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|N<3>,1|S<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.0615	0.739	2	120.0615	0.546	2	119.9887	2.177	108	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|O<1>,1|S<3>,2|C<3>,3|H<1>}	N[5](C[5]C[6]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O){1|Pd<4>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.2700	2.502	2	119.2700	6.259	2	119.9887	2.177	108	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]O){4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	120.1795	0.295	2	120.2953	0.788	8	119.9887	2.177	108	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]O){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.5145	1.054	2	120.2953	0.788	8	119.9887	2.177	108	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]O){4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	120.0715	1.391	2	120.2953	0.788	8	119.9887	2.177	108	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]O){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	120.4155	1.459	2	120.2953	0.788	8	119.9887	2.177	108	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]O[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|O<2>,1|S<1>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]O[5]S){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.7330	1.092	2	119.7330	1.192	2	119.9887	2.177	108	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	120.9220	1.680	2	120.9220	2.823	2	119.9887	2.177	108	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|N<2>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.1035	0.226	2	120.2006	0.775	10	119.9887	2.177	108	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.7975	0.346	2	120.2006	0.775	10	119.9887	2.177	108	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O){4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.2745	1.046	2	120.2006	0.775	10	119.9887	2.177	108	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.4137	1.313	4	120.2006	0.775	10	119.9887	2.177	108	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.4030	1.187	4	120.4030	1.409	4	119.9887	2.177	108	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]O[5]O){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.2065	1.101	2	120.2065	1.212	2	119.9887	2.177	108	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]S[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]S[5]C){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.7865	1.592	2	119.7865	2.534	2	119.9887	2.177	108	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]O){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.1440	1.257	2	120.1440	1.581	2	119.9887	2.177	108	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	N[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|I<1>,2|C<3>}	120.5490	1.776	2	120.5490	3.155	2	119.9887	2.177	108	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]F)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|F<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]N){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]F)(H){1|C<4>,2|C<3>,2|H<1>}	117.9993	0.308	4	117.9993	0.095	4	119.9887	2.177	108	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|F<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]N){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	123.2407	1.132	4	121.8556	4.000	8	119.9887	2.177	108	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<2>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]N){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.4705	1.713	4	121.8556	4.000	8	119.9887	2.177	108	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]O[5]O){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	120.3710	2.210	2	120.3710	4.886	2	119.9887	2.177	108	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.1012	0.387	4	120.2097	0.769	20	119.9887	2.177	108	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.1046	0.878	8	120.2097	0.769	20	119.9887	2.177	108	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	120.2047	1.009	4	120.2097	0.769	20	119.9887	2.177	108	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	120.2245	0.265	2	120.2097	0.769	20	119.9887	2.177	108	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|O<1>,1|S<3>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	120.8415	2.169	2	120.2097	0.769	20	119.9887	2.177	108	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	B[5]-4:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[5]B[5]C[5])(C[6a]C[6a]H)	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5])(H)	C[6a](C[6a]C[6a,6a]H)(N[5]B[5]C[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5])(H){1|B<4>,2|H<1>,4|C<3>}	120.0690	0.000	1	120.0690	0.000	1	120.0690	0.000	1	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	B[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[5]B[5]C[5])(C[6a]C[6a]H)	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[5])(H)	C[6a](C[6a]C[6a,6a]H)(N[5]B[5]C[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[5])(H){1|B<4>,1|H<1>,3|C<3>}	119.0010	0.000	1	119.0010	0.000	1	119.0010	0.000	1	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[5]C[5,6]C[5])(C[6a]C[6a]H)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N[5])(H)	C[6a](C[6a]C[6a,6a]H)(N[5]C[5,6]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N[5])(H){1|C<4>,1|H<1>,4|C<3>}	120.1490	0.000	1	120.1490	0.000	1	120.1490	0.000	1	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[5]C[5,6]C[5])(C[6a]C[6a]H)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[5])(H)	C[6a](C[6a]C[6a,6a]H)(N[5]C[5,6]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[5])(H){1|C<4>,1|H<1>,3|C<3>}	120.4280	0.000	1	120.4280	0.000	1	120.4280	0.000	1	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[5]C[5,6]C[5])(C[6a]C[6a]H)	N[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5])(H)	C[6a](C[6a]C[6a,6a]H)(N[5]C[5,6]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	N[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]O){1|Br<1>,1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5])(H){1|C<4>,2|H<1>,4|C<3>}	121.7540	0.000	1	121.7540	0.000	1	121.7540	0.000	1	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(N[5]C[5,6]C[5])(C[6a]C[6a]H)	N[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[5])(H)	C[6a](C[6a]C[6a,6a]H)(N[5]C[5,6]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	N[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]O){1|Br<1>,1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[5])(H){1|C<4>,1|H<1>,3|C<3>}	118.8610	0.000	1	118.8610	0.000	1	118.8610	0.000	1	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	B[5,5a]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]B[5,5a]C[5])(C[6a]C[6a]H)2	N[5](B[5,5a]O[5a]2N[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]B[5,5a]C[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	N[5](B[5,5a]O[5a]2N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|F<1>,1|H<1>,2|C<3>}	119.4860	1.048	2	119.6615	0.415	4	119.6615	0.415	4	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	B[5,5a]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]B[5,5a]C[5])(C[6a]C[6a]H)2	N[5](B[5,5a]O[5a]2N[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]B[5,5a]C[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	N[5](B[5,5a]O[5a]2N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	119.8370	0.158	2	119.6615	0.415	4	119.6615	0.415	4	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	B[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]B[5]C[5])(C[6a]C[6a]H)2	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	120.5633	0.913	4	120.2796	1.289	16	120.3151	1.136	20	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	B[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]B[5]C[5])(C[6a]C[6a]H)2	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	120.5770	2.011	2	120.2796	1.289	16	120.3151	1.136	20	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	B[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]B[5]C[5])(C[6a]C[6a]H)2	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|H<1>}	120.1067	1.154	10	120.2796	1.289	16	120.3151	1.136	20	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	B[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]B[5]C[5])(C[6a]C[6a]H)2	N[5](B[5]N[5,5]C[6a]C)(C[5]C[5,5,6]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<1>,2|H<1>,3|C<3>}	N[5](B[5]N[5,5]C[6a]C)(C[5]C[5,5,6]S)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	120.3960	1.404	2	120.4570	0.718	4	120.3151	1.136	20	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	B[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]B[5]C[5])(C[6a]C[6a]H)2	N[5](B[5]N[5,5]C[6a]C)(C[5]C[5,5,6]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<1>,2|H<1>,3|C<3>}	N[5](B[5]N[5,5]C[6a]C)(C[5]C[5,5,6]S)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	120.5180	0.409	2	120.4570	0.718	4	120.3151	1.136	20	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	B[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]B[5]C[5])(C[6a]C[6a]H)2	N[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]P[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]H)2{1|P<4>,2|C<4>,2|H<1>,3|C<3>}	N[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]P[5]C){2|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|H<1>}	119.4740	3.874	2	119.4740	15.004	2	119.4740	15.004	2	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[3x5,6]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[3x5,6]C[5])(C[6a]C[6a]H)2	N[5](C[3x5,6]C[5,5,6]N[5,5,6]S[5,5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[3x5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|C<4>,2|H<1>}	N[5](C[3x5,6]C[5,5,6]N[5,5,6]S[5,5])(C[6a]C[6a]2)(C[5]C[5]O){3|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.2280	0.033	2	119.2280	0.001	2	119.2280	0.001	2	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[4,5])(C[6a]C[6a]H)2	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[4,5])(C[6a]C[6a]H)2{1|C<4>,1|C<6>,3|C<3>,3|H<1>}	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|C<6>,4|B<6>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	120.9375	1.450	2	120.7140	4.084	4	120.7140	4.084	4	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[4,5])(C[6a]C[6a]H)2	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[4,5])(C[6a]C[6a]H)2{1|C<4>,1|C<6>,3|C<3>,3|H<1>}	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|C<6>,4|B<6>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.4905	3.154	2	120.7140	4.084	4	120.7140	4.084	4	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5,6]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[3x5,6]C[5,6]O)(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5,6]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	N[5](C[5,5,6]C[3x5,6]C[5,6]O)(C[5]C[5,5,6]O)(C[6a]C[6a]2){2|C<3>,4|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	119.7430	0.000	1	119.7430	0.000	1	120.0117	0.456	3	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]O)(C[6a]C[6a]2){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.5120	0.000	1	119.5120	0.000	1	120.0117	0.456	3	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H)	C[6a](N[5]C[5,5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5,5,6]O)(C[6a]C[6a]2){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H){1|C<4>,2|C<3>,2|H<1>}	120.7800	0.000	1	120.7800	0.000	1	120.0117	0.456	3	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5,6])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[6a]O[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5,6])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,5]C[6a]O[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2){1|N<3>,2|C<4>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	120.2240	0.406	2	120.2375	0.230	4	120.2278	0.194	10	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5,6])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[6a]O[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5,6])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,5]C[6a]O[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2){1|N<3>,2|C<4>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	120.2510	0.724	2	120.2375	0.230	4	120.2278	0.194	10	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5,6])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5,5]N)(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5,6])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]N)(C[5,6]C[5,6]C[6])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	120.3625	0.175	2	120.3625	0.031	2	120.2278	0.194	10	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5,6])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5,6])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5,6]C[6])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.1508	0.568	4	120.1508	0.322	4	120.2278	0.194	10	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.2310	0.000	1	121.2310	0.000	1	120.1745	0.813	23	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[3,5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[3,5]O)(C[6a]C[6a]2){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	120.7340	0.750	2	120.7340	0.562	2	120.1745	0.813	23	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|S<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	119.7885	0.518	2	119.7885	0.269	2	120.1745	0.813	23	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[3x5]N)(C[5]C[3x5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5]C[5,6a]C[3x5]N)(C[5]C[3x5]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,2|S<2>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.0910	1.451	4	120.0910	2.105	4	120.1745	0.813	23	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|Br<1>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.0786	1.018	8	120.0786	1.036	8	120.1745	0.813	23	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|N<3>,1|S<1>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.1700	0.402	4	120.1242	0.268	6	120.1745	0.813	23	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|N<2>,1|S<2>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.0325	0.910	2	120.1242	0.268	6	120.1745	0.813	23	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]O){1|N<2>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	116.8140	0.000	1	117.2490	0.145	3	119.6969	1.297	61	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	117.4665	0.083	2	117.2490	0.145	3	119.6969	1.297	61	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[5,5]C[5]N[5]O[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[5](C[5,5]C[5]N[5]O[5])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	116.6010	0.000	1	116.9910	0.304	2	119.6969	1.297	61	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[5,5]C[5]N[5]O[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[5](C[5,5]C[5]N[5]O[5])(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	117.3810	0.000	1	116.9910	0.304	2	119.6969	1.297	61	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	119.1760	0.000	1	119.1760	0.000	1	119.6969	1.297	61	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	N[5](C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	N[5](C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]O){1|N<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	121.7580	0.000	1	121.7580	0.000	1	119.6969	1.297	61	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	119.6215	1.836	2	119.6215	3.372	2	119.6969	1.297	61	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[5]Zr)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|Zr<13>,2|C<3>,2|H<1>,3|C<4>}	N[5](C[5,5]C[5,5]C[5]Zr)(C[6a]C[6a]2)(C[5]C[5]C){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.9065	0.168	2	119.9065	0.028	2	119.6969	1.297	61	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[5]Zr)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|Zr<13>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,5]C[5,5]C[5]Zr)(C[6a]C[6a]2)(C[5]C[5]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.2435	0.578	4	120.2435	0.334	4	119.6969	1.297	61	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,4|C<3>}	N[5](C[5,5]C[5,5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|N<2>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.5475	0.626	2	120.5475	0.392	2	119.6969	1.297	61	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<2>,1|S<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]S){4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.7390	0.979	2	119.7390	0.958	2	119.6969	1.297	61	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]N[5]C)(C[6a]C[6a]2)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,1|S<1>,2|C<4>,2|H<1>,2|N<3>}	N[5](C[5,5]C[5,5]N[5]C)(C[6a]C[6a]2)(C[5]N[5]S){1|N<3>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.0265	0.087	2	120.0265	0.008	2	119.6969	1.297	61	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|S<1>,2|N<3>,3|H<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]N[5]S){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	119.9640	0.479	2	119.9640	0.230	2	119.6969	1.297	61	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	N[5](C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]O){4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.7730	0.673	2	119.7730	0.453	2	119.6969	1.297	61	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.1575	1.165	2	120.1575	1.356	2	119.6969	1.297	61	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<1>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]S){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.3925	1.514	2	120.3925	2.292	2	119.6969	1.297	61	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]C){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.7935	0.532	2	119.7935	0.284	2	119.6969	1.297	61	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.3317	0.789	4	120.3317	0.622	4	119.6969	1.297	61	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|S<2>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]S){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.6335	0.337	2	119.6335	0.114	2	119.6969	1.297	61	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|H<1>,3|C<4>}	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]O){1|N<3>,1|O<2>,4|C<3>,7|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.0405	0.364	2	119.9543	0.187	4	119.6969	1.297	61	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,2|H<1>,2|O<2>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.8680	0.632	2	119.9543	0.187	4	119.6969	1.297	61	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]O){5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.6590	0.099	2	119.6590	0.010	2	119.6969	1.297	61	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]O){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.5055	1.623	2	119.5055	2.634	2	119.6969	1.297	61	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]N[5,5]C)(C[6a]C[6a]2)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|N<4>,1|S<1>,2|C<3>,2|H<1>}	N[5](C[5,5]C[5,6a]N[5,5]C)(C[6a]C[6a]2)(C[5]N[5]S){1|B<4>,1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	119.5747	1.889	4	119.5747	3.570	4	119.6969	1.297	61	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,1|S<1>,2|C<4>,2|H<1>,2|N<2>}	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]S){2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.3280	0.331	2	119.3280	0.110	2	119.6969	1.297	61	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	N[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]O[5]O){1|N<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	118.5450	0.000	1	118.5450	0.000	1	119.6969	1.297	61	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	N[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]O[5]O){1|N<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	120.9850	0.000	1	120.9850	0.000	1	119.6969	1.297	61	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|H<1>,3|C<4>}	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	119.9892	0.950	4	119.9892	0.902	4	119.6969	1.297	61	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]O[5]O){2|C<4>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.9560	0.611	2	119.9560	0.373	2	119.6969	1.297	61	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]N[5]S[5]2)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,2|S<2>}	N[5](C[5,5]N[5]S[5]2)(C[6a]C[6a]2)(C[5]C[5]O){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.4680	0.468	2	119.4680	0.219	2	119.6969	1.297	61	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]2C[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<2>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]2C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Cl<1>,4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	120.4080	1.550	2	120.4080	2.402	2	120.4080	2.402	2	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:N[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5,6]C[5,6a]2)(N[5]C[5,5,6]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<2>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,5,6]C[5,6a]2)(N[5]C[5,5,6]C)(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	120.5805	4.993	2	120.5805	24.929	2	120.5805	24.929	2	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|C<4>,1|H<1>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	118.5150	0.000	1	118.5150	0.000	1	120.3846	1.181	11	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<1>,2|H<1>,5|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,1|O<2>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	120.1610	0.000	1	120.1610	0.000	1	120.3846	1.181	11	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]S)	N[5](C[5,6]C[6]2O[5])(C[5]C[6]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]S){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5,6]C[6]2O[5])(C[5]C[6]N[5])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	121.7710	0.000	1	121.7710	0.000	1	120.3846	1.181	11	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.1450	0.610	2	120.1450	0.372	2	120.3846	1.181	11	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,5|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.2675	0.797	2	120.2675	0.635	2	120.3846	1.181	11	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]O)(C[6a]C[6a]2){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	120.7398	1.250	4	120.7398	1.563	4	120.3846	1.181	11	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	N[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]C[5]O){3|C<3>,3|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	115.9945	0.435	2	115.9945	0.189	2	119.7931	2.167	28	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|O<2>}	120.2895	0.261	2	120.2895	0.068	2	119.7931	2.167	28	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]O){2|C<3>,4|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.7815	1.923	4	120.7815	3.698	4	119.7931	2.167	28	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]O[5]O){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.4345	0.343	2	120.4345	0.118	2	119.7931	2.167	28	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]C[6]O)(C[6a]C[6a]2)(C[5]S[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,1|S<1>,1|S<2>,2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6]O)(C[6a]C[6a]2)(C[5]S[5]S){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.3560	0.757	2	119.3560	0.572	2	119.7931	2.167	28	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]C[6a]N[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5,6]C[5,6]C[6a]N[6])(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.1520	1.034	2	120.2985	1.891	4	119.7931	2.167	28	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]C[6a]N[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5,6]C[5,6]C[6a]N[6])(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	120.4450	2.126	2	120.2985	1.891	4	119.7931	2.167	28	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5]C[6]O[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6]C[5]C[6]O[6])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|N<2>,1|N<3>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	119.9765	0.103	2	119.9765	0.011	2	119.7931	2.167	28	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6,6a]C[6]N[5])(C[6a]C[6a]2)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|S<1>,2|C<3>,2|H<1>,2|N<2>}	N[5](C[5,6]C[6,6a]C[6]N[5])(C[6a]C[6a]2)(C[5]N[5]S){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.6875	1.012	2	119.6875	1.024	2	119.7931	2.167	28	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6,6a]N[5,6]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6]C[6,6a]N[5,6]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.2370	1.404	2	120.2370	1.972	2	119.7931	2.167	28	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	N[5](C[5,6]C[6,6a]N[5,6]H)(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.6405	0.614	2	119.6405	0.378	2	119.7931	2.167	28	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]O){1|Br<1>,1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.9330	0.895	2	119.9330	0.801	2	119.7931	2.167	28	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|S<1>,2|C<4>,2|H<1>,2|N<2>}	N[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]N[5]S){2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.3945	0.486	2	119.3945	0.236	2	119.7931	2.167	28	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:B[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]B[5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(B[5]N[5]Si)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Si<4>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(B[5]N[5]Si){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	121.7820	0.000	1	121.7820	0.000	1	121.7820	0.000	1	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<3>}	120.2495	4.385	2	120.5965	11.263	4	120.5965	11.263	4	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.9435	3.753	2	120.5965	11.263	4	120.5965	11.263	4	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:S[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]S[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(S[5]N[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]S[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(S[5]N[5]O){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	120.4580	1.266	2	120.4580	1.602	2	120.4580	1.602	2	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](P[5]C[5,6a]C[6a]Pd)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Pd<4>,1|O<1>,2|H<1>,4|C<3>}	N[5](P[5]C[5,6a]C[6a]Pd)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,1|P<4>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|P<4>}	119.7210	0.000	1	119.7210	0.000	1	119.7210	0.000	1	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	Se[5,5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]Se[5,5]C[5])(C[6a]C[6a]H)2	N[5](Se[5,5]C[5,6a]C[5,6]N[5])(C[5]C[5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]Se[5,5]C[5])(C[6a]C[6a]H)2{1|H<1>,1|N<4>,1|O<2>,1|O<3>,4|C<3>}	N[5](Se[5,5]C[5,6a]C[5,6]N[5])(C[5]C[5,6]O)(C[6a]C[6a]2){1|C<2>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Se<4>,2|C<3>,2|H<1>}	118.1970	0.000	1	118.1970	0.000	1	119.4615	3.198	2	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	Se[5,5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]Se[5,5]C[5])(C[6a]C[6a]H)2	N[5](Se[5,5]C[5,6a]C[5,6]N[5])(C[5]C[5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H)	C[6a](N[5]Se[5,5]C[5])(C[6a]C[6a]H)2{1|H<1>,1|N<4>,1|O<2>,1|O<3>,4|C<3>}	N[5](Se[5,5]C[5,6a]C[5,6]N[5])(C[5]C[5,6]O)(C[6a]C[6a]2){1|C<2>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]O)(H){1|Se<4>,2|C<3>,2|H<1>}	120.7260	0.000	1	120.7260	0.000	1	119.4615	3.198	2	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	Si[5,6]-4:N[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]Si[5,6]N[5])(C[6a]C[6a]H)2	N[5](Si[5,6]C[5,6a]N[6]2)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]Si[5,6]N[5])(C[6a]C[6a]H)2{2|N<3>,3|C<3>,3|H<1>}	N[5](Si[5,6]C[5,6a]N[6]2)(N[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|N<3>,2|H<1>}	120.8640	1.713	2	120.8640	2.933	2	120.8640	2.933	2	120.0245	1.762	460	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC){1|C<4>,2|C<3>,2|H<1>}	118.5690	0.000	1	118.5690	0.000	1	118.5690	0.000	1	119.9722	1.835	20	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|O<1>,3|C<3>,4|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.0115	0.023	2	120.9338	0.275	5	120.7230	1.843	8	119.9722	1.835	20	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|O<1>,3|C<3>,4|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	120.8880	1.038	2	120.9338	0.275	5	120.7230	1.843	8	119.9722	1.835	20	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|O<1>,3|C<3>,4|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	120.8700	0.000	1	120.9338	0.275	5	120.7230	1.843	8	119.9722	1.835	20	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|O<1>,3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>,2|H<1>}	122.5720	0.000	1	122.5720	0.000	1	120.7230	1.843	8	119.9722	1.835	20	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>,2|H<1>}	117.8670	0.000	1	117.8670	0.000	1	120.7230	1.843	8	119.9722	1.835	20	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a]){1|C<4>,2|C<3>,2|H<1>}	120.6760	0.000	1	120.6760	0.000	1	120.7230	1.843	8	119.9722	1.835	20	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]N[5]C){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC){1|C<4>,2|C<3>,2|H<1>}	120.2750	0.000	1	120.2750	0.000	1	120.2750	0.000	1	119.9722	1.835	20	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O){2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>,2|H<1>}	117.9150	0.000	2	117.9150	0.000	2	118.5108	0.477	4	119.9722	1.835	20	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]N[5]PdH)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OPd)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|Pd<4>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]N[5]PdH)(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(OPd){1|C<4>,2|C<3>,2|H<1>}	119.1065	0.112	2	119.1065	0.013	2	118.5108	0.477	4	119.9722	1.835	20	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a])	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a]){1|C<4>,2|C<3>,2|H<1>}	121.1360	0.000	1	121.1360	0.000	1	121.1360	0.000	1	119.9722	1.835	20	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<1>,2|H<1>,5|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,1|O<2>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	119.5370	0.000	1	119.5370	0.000	1	119.5370	0.000	1	119.9722	1.835	20	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-2:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]S)	N[5](C[5,6]C[6]2O[5])(C[5]C[6]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(SC)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]S){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5,6]C[6]2O[5])(C[5]C[6]N[5])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(SC){1|C<4>,2|C<3>,2|H<1>}	118.9380	0.000	1	118.9380	0.000	1	118.9380	0.000	1	119.9722	1.835	20	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.0045	0.063	2	121.0045	0.004	2	121.0045	0.004	2	119.9722	1.835	20	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:B[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](N[5]B[5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(B[5]N[5]Si)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Si<4>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(B[5]N[5]Si){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	119.1530	0.000	1	119.1530	0.000	1	119.1530	0.000	1	119.9722	1.835	20	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|O<1>,3|C<3>,4|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.2630	0.000	1	120.5453	0.411	3	120.5686	0.557	5	120.7701	1.712	25	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|O<1>,3|C<3>,4|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCH){1|C<4>,2|C<3>,2|H<1>}	120.1865	0.221	2	120.5453	0.411	3	120.5686	0.557	5	120.7701	1.712	25	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|O<1>,3|C<3>,4|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(COO){1|C<4>,2|C<3>,2|H<1>}	121.4410	0.000	1	121.4410	0.000	1	120.5686	0.557	5	120.7701	1.712	25	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|O<1>,3|C<3>,4|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>,2|C<4>}	119.7660	0.000	1	119.7660	0.000	1	120.5686	0.557	5	120.7701	1.712	25	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[5]C[5]2){1|O<1>,4|H<1>,5|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	120.5855	0.286	2	120.8337	0.182	6	120.8337	0.182	6	120.7701	1.712	25	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[5]C[5]2){1|O<1>,4|H<1>,5|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	120.8987	0.549	3	120.8337	0.182	6	120.8337	0.182	6	120.7701	1.712	25	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[5]C[5]2){1|O<1>,4|H<1>,5|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,3|H<1>,4|C<3>}	121.1350	0.000	1	120.8337	0.182	6	120.8337	0.182	6	120.7701	1.712	25	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[5]C[6a]O[5]C)(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]O[5]C)(C[5]C[6a]N[5])(C[6a]C[6a]2){1|H<1>,1|N<3>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCH){1|C<4>,2|C<3>,2|H<1>}	118.6980	0.000	1	118.6980	0.000	1	118.6980	0.000	1	120.7701	1.712	25	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|N<2>,1|N<3>,2|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5])(C[6a]C[6a]2){1|H<1>,1|N<3>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>,3|C<4>}	118.5190	0.000	1	118.5190	0.000	1	118.5190	0.000	1	120.7701	1.712	25	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CN[5a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	N[5](C[5]C[5a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]O){1|N<3>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CN[5a]O){1|C<4>,2|C<3>,2|H<1>}	120.9920	0.000	1	120.9920	0.000	1	121.0495	0.007	2	120.7701	1.712	25	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCO){1|C<4>,2|C<3>,2|H<1>}	121.1070	0.000	1	121.1070	0.000	1	121.0495	0.007	2	120.7701	1.712	25	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5])(C[6a]C[5,6a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(N[5]C[5]2){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5])(C[6a]C[5,6a]H){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	120.4970	0.000	1	120.4970	0.000	1	120.3532	0.603	5	120.7701	1.712	25	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	120.4635	1.299	2	120.4635	1.687	2	120.3532	0.603	5	120.7701	1.712	25	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]Rh)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[5]C[5]2){1|Rh<6>,1|C<4>,1|N<3>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]Rh){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	120.1710	0.782	2	120.1710	0.612	2	120.3532	0.603	5	120.7701	1.712	25	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[5,5]C[5]N[5]O[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[5]O)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[5](C[5,5]C[5]N[5]O[5])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[5]O){1|C<4>,2|C<3>,2|H<1>}	123.8110	0.000	1	123.8480	0.003	2	123.8480	0.003	2	120.7701	1.712	25	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[5,5]C[5]N[5]O[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[5]O)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[5](C[5,5]C[5]N[5]O[5])(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[5]O){1|C<4>,2|C<3>,2|H<1>}	123.8850	0.000	1	123.8480	0.003	2	123.8480	0.003	2	120.7701	1.712	25	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO){1|C<4>,2|C<3>,2|H<1>}	122.8660	0.000	1	122.8660	0.000	1	122.8660	0.000	1	120.7701	1.712	25	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[6a]-3:	S[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](N[5]C[5]S[5])(C[6a]C[6a]N)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]C)	C[6a](N[5]C[5]S[5])(C[6a]C[6a]N)2{2|H<1>,3|C<3>,3|O<1>}	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|N<3>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]C){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	119.8820	0.093	2	119.8820	0.009	2	119.8820	0.009	2	120.7701	1.712	25	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(CH3){1|C<4>,2|C<3>,2|H<1>}	119.3285	0.047	2	119.3285	0.002	2	119.0504	3.127	12	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|O<1>,3|C<3>,4|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	119.1740	0.000	1	119.1740	0.000	1	119.0504	3.127	12	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]H)(C[6a]C[6a]2){1|H<1>,4|C<3>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.9415	5.156	2	118.9415	26.579	2	119.0504	3.127	12	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,5]HH)(C[5]N[5,5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[5](C[5]C[5,5]HH)(C[5]N[5,5]H)(C[6a]C[6a]2){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	119.1395	0.702	2	119.1395	0.493	2	119.0504	3.127	12	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]Cu)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Cu<3>,2|H<1>,5|C<3>}	N[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]Cu)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	119.1875	2.597	2	119.1875	6.745	2	119.0504	3.127	12	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|O<1>,3|C<3>,4|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.8345	0.009	2	118.8345	0.000	2	119.0504	3.127	12	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|O<1>,3|C<3>,4|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	118.5680	0.000	1	118.5680	0.000	1	119.0504	3.127	12	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	121.7610	0.000	1	121.7610	0.000	1	121.7610	0.000	1	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]CH){1|C<4>,2|C<3>,2|H<1>}	120.1750	0.373	2	120.1750	0.139	2	119.0072	0.823	46	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	119.6990	0.000	1	119.6990	0.000	1	119.0072	0.823	46	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]Rh)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(CCCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Rh<6>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]Rh){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(CCCH){1|C<4>,2|C<3>,2|H<1>}	120.2050	0.539	2	120.2050	0.290	2	119.0072	0.823	46	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]Rh)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Rh<6>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]Rh){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,2|C<3>,2|H<1>}	120.5670	0.000	1	120.5670	0.000	1	119.0072	0.823	46	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]Rh)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Rh<6>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]Rh){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	119.5660	0.890	2	119.5660	0.791	2	119.0072	0.823	46	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]S[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,1|S<2>,2|C<3>}	N[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]S[5]N){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	119.5000	0.000	1	119.5000	0.000	1	119.0072	0.823	46	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]CH){1|C<4>,2|C<3>,2|H<1>}	117.7670	0.249	2	117.7660	0.031	3	119.0072	0.823	46	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]CH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]S[5]H)(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]CH){1|H<1>,2|C<3>,2|C<4>}	117.7640	0.000	1	117.7660	0.031	3	119.0072	0.823	46	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]N[5]H){2|C<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	119.2695	1.173	4	119.2695	1.377	4	119.0072	0.823	46	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]C){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	118.8810	0.188	2	118.8810	0.035	2	119.0072	0.823	46	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.2375	0.590	4	118.2375	0.348	4	119.0072	0.823	46	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H){1|H<1>,2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	119.3480	1.159	4	119.0830	0.846	10	119.0072	0.823	46	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	118.8762	0.957	4	119.0830	0.846	10	119.0072	0.823	46	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]H){4|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	118.9665	0.595	2	119.0830	0.846	10	119.0072	0.823	46	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>,3|C<4>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]Pd){1|H<1>,2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	118.5291	0.575	8	118.5291	0.330	8	119.0072	0.823	46	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]N[5]Li2)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){2|Li<3>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]N[5]Li2)(C[6a]C[6a]2)(C[5]C[5]H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	118.7725	0.387	2	118.7725	0.150	2	119.0072	0.823	46	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]N[5]PdC)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]N[5]PdC)(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	119.2445	0.725	4	119.2445	0.525	4	119.0072	0.823	46	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	C[6a]-3:N[5]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(N[5]C[5,6]C[5])(C[6a]C[6a]C)	N[5](C[5,6]C[5,6]C[6]Cr)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C[5])(N[5]C[5,6]C[5])(C[6a]C[6a]C){1|Cr<9>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	N[5](C[5,6]C[5,6]C[6]Cr)(C[6a]C[6a]2)(C[5]C[5]C){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	118.2020	0.000	2	118.2020	0.000	2	118.2020	0.000	2	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	C[6a]-3:N[5]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]C[5])(N[5]C[5,6]C[5])(C[6a]C[6a]C)	N[5](C[5,6]C[5,6]C[6]Cr)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]O[5]2H)	C[6a](C[6a]C[6a]C[5])(N[5]C[5,6]C[5])(C[6a]C[6a]C){1|Cr<9>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	N[5](C[5,6]C[5,6]C[6]Cr)(C[6a]C[6a]2)(C[5]C[5]C){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]O[5]2H){1|H<1>,2|C<3>,4|C<4>}	118.9520	0.000	2	118.9520	0.000	2	118.9520	0.000	2	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	B[4,5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]B[4,5]C[5])(C[6a]C[6a]C)2	N[5](B[4,5]C[4]O[4]O[5])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]B[4,5]C[5])(C[6a]C[6a]C)2{1|B<3>,1|C<4>,2|C<3>,2|H<1>,2|O<2>}	N[5](B[4,5]C[4]O[4]O[5])(C[5]C[6a]B[5])(C[6a]C[6a]2){5|C<3>,5|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	118.7130	0.865	2	118.7130	0.749	2	118.7130	0.749	2	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	B[4,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]B[4,5]C[5])(C[6a]C[6a]C)2	N[5](B[4,5]C[5]N[4]O[4])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]B[4,5]C[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N[5](B[4,5]C[5]N[4]O[4])(C[6a]C[6a]2)(C[5]C[5]C){1|H<1>,3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	118.7060	1.314	2	118.7060	1.726	2	118.7060	1.726	2	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	B[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](B[5]C[5,6a]C[6a]Cl)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|Cl<1>,3|H<1>,4|C<3>}	N[5](B[5]C[5,6a]C[6a]Cl)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	118.7315	1.220	2	118.7315	1.488	2	118.4550	1.671	8	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	B[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](B[5]C[5,6a]Cl2)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{2|Cl<1>,3|C<3>,3|H<1>}	N[5](B[5]C[5,6a]Cl2)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	118.4750	0.040	2	118.4750	0.002	2	118.4550	1.671	8	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	B[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](B[5]C[5x3,6x5,20x6]OO)(C[5]C[5x3,6x5,20x6]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|C<3>,1|C<4>,2|C<6>,2|H<1>,2|O<2>}	N[5](B[5]C[5x3,6x5,20x6]OO)(C[5]C[5x3,6x5,20x6]C)(C[6a]C[6a]2){2|C<3>,2|C<4>,6|B<6>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	118.3067	1.823	4	118.3067	3.322	4	118.4550	1.671	8	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[4,5]C[5])(C[6a]C[6a]C)2	N[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH)	C[6a](N[5]C[4,5]C[5])(C[6a]C[6a]C)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	N[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(C[5]C[5]O){2|C<3>,2|H<1>,6|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>,2|C<4>}	117.5360	0.076	2	117.5360	0.006	2	119.0948	3.242	4	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[4,5]C[5])(C[6a]C[6a]C)2	N[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[4,5]C[5])(C[6a]C[6a]C)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	N[5](C[4,5]C[4,5]C[4]H)(C[6a]C[6a]2)(C[5]C[5]O){2|C<3>,2|H<1>,6|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	120.6535	0.018	2	120.6535	0.000	2	119.0948	3.242	4	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5,6]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[5,5,6]C[3x5,6]C[5,6]O)(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCOO)	C[6a](N[5]C[5,5,6]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	N[5](C[5,5,6]C[3x5,6]C[5,6]O)(C[5]C[5,5,6]O)(C[6a]C[6a]2){2|C<3>,4|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCOO){1|C<4>,2|C<3>,2|H<1>}	119.1980	0.000	1	119.1980	0.000	1	119.1980	0.000	1	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[5]HO)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]O){1|N<2>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[5]HO){1|C<4>,2|C<3>,2|H<1>}	121.9750	0.000	1	122.8810	0.616	3	119.0695	1.748	49	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[5]HO)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[5]HO){1|C<4>,1|H<1>,3|C<3>}	123.3340	0.040	2	122.8810	0.616	3	119.0695	1.748	49	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]H){1|B<4>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	118.6795	1.012	2	118.6795	1.024	2	119.0695	1.748	49	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]P)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,1|P<3>,3|H<1>}	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]P){1|B<4>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	118.9485	0.238	4	118.9485	0.057	4	119.0695	1.748	49	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,1|S<2>,3|H<1>}	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]S){1|B<4>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	118.8475	0.976	8	118.8475	0.952	8	119.0695	1.748	49	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]Se)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2{1|Se<1>,1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	N[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]N[5]Se){1|B<3>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	118.6145	0.930	4	118.6145	0.865	4	119.0695	1.748	49	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]H){1|H<1>,2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.3655	0.683	4	118.3655	0.467	4	119.0695	1.748	49	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]H){1|H<1>,2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	118.5858	0.564	4	118.5858	0.318	4	119.0695	1.748	49	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]Ir)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2{1|Ir<6>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]Ir){1|H<1>,2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.7719	1.581	8	118.7719	2.501	8	119.0695	1.748	49	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]Rh)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2{1|Rh<6>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]Rh){1|H<1>,2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	119.0221	0.607	8	119.0221	0.369	8	119.0695	1.748	49	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]Rh)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2{1|Rh<6>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]Rh){1|H<1>,2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	119.3040	0.493	4	119.3040	0.243	4	119.0695	1.748	49	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:Ga[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,6a]C[5]2)(Ga[5]Ga[5]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2{1|Ga<3>,2|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(Ga[5]Ga[5]C[5])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<3>,1|C<3>,1|H<1>,2|C<4>}	120.4300	0.007	2	120.4300	0.000	2	120.4300	0.000	2	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|C<4>,1|H<1>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN){1|C<4>,2|C<3>,2|H<1>}	121.4430	0.000	1	121.4430	0.000	1	121.4430	0.000	1	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC3)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	N[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]C[5]O){3|C<3>,3|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC3){1|C<4>,2|C<3>,2|H<1>}	123.2715	0.192	2	123.2715	0.037	2	123.2715	0.037	2	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:B[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[5]C[5,5a]C[6a]H)(B[5]N[5,5a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|N<3>,3|H<1>,4|C<3>}	N[5](C[5]C[5,5a]C[6a]H)(B[5]N[5,5a]C[6a])(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<3>,1|H<1>,2|C<4>}	119.1880	0.614	2	119.1880	0.377	2	119.4565	0.551	14	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:B[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[5]C[5,6a]C[6a]H)(B[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{3|H<1>,5|C<3>}	N[5](C[5]C[5,6a]C[6a]H)(B[5]C[5,6a]C[6a])(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<3>,1|H<1>,2|C<4>}	119.3038	0.990	6	119.3038	0.979	6	119.4565	0.551	14	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:B[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{2|N<3>,3|C<3>,3|H<1>}	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<3>,1|H<1>,2|C<4>}	119.6987	0.501	6	119.6987	0.251	6	119.4565	0.551	14	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:B[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[5]C[5]ClH)(C[6a]C[6a]2)(B[5]N[5]Cl)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{2|Cl<1>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N[5](C[5]C[5]ClH)(C[6a]C[6a]2)(B[5]N[5]Cl){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<3>,1|H<1>,2|C<4>}	118.8347	0.935	4	118.8347	0.873	4	118.8347	0.873	4	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:P[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[5]C[5,6a]HH)(P[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|C<2>,3|C<3>,4|H<1>}	N[5](C[5]C[5,6a]HH)(P[5]C[5,6a]C)(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,1|P<3>,2|C<4>}	119.5120	0.595	2	119.5120	0.354	2	119.2223	0.370	6	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:P[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[5]C[5,6a]HH)(P[5]C[5,6a]Cl)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|Cl<1>,3|C<3>,4|H<1>}	N[5](C[5]C[5,6a]HH)(P[5]C[5,6a]Cl)(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,1|P<3>,2|C<4>}	119.1825	0.825	2	119.1825	0.681	2	119.2223	0.370	6	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:P[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[5]C[5,6a]HH)(P[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|O<2>,3|C<3>,4|H<1>}	N[5](C[5]C[5,6a]HH)(P[5]C[5,6a]O)(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,1|P<3>,2|C<4>}	118.9725	0.719	2	118.9725	0.517	2	119.2223	0.370	6	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Ga[5,5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ga[5,5]C[5])(C[6a]C[6a]C)2	N[5](Ga[5,5]N[5,6]2N[5])(C[5]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ga[5,5]C[5])(C[6a]C[6a]C)2{2|C<3>,3|H<1>,3|N<3>}	N[5](Ga[5,5]N[5,6]2N[5])(C[5]C[5,6]H)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	119.2070	1.148	2	119.2070	1.319	2	119.2070	1.319	2	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Ga[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ga[5,5]C[5])(C[6a]C[6a]C)2	N[5](Ga[5,5]N[5]3)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ga[5,5]C[5])(C[6a]C[6a]C)2{2|C<3>,3|H<1>,3|N<3>}	N[5](Ga[5,5]N[5]3)(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	120.4723	0.982	4	120.4723	0.964	4	120.5248	0.939	6	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Ga[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ga[5,5]C[5])(C[6a]C[6a]C)2	N[5](Ga[5,5]N[5]P[5]2)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ga[5,5]C[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,2|P<3>,3|H<1>}	N[5](Ga[5,5]N[5]P[5]2)(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,2|P<3>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	120.6300	1.331	2	120.6300	1.771	2	120.5248	0.939	6	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Ga[5,6]-4:C[5,5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ga[5,6]C[5,5])(C[6a]C[6a]C)2	N[5](Ga[5,6]Ga[5,6]N[5]O[6])(C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ga[5,6]C[5,5])(C[6a]C[6a]C)2{1|Ga<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N[5](Ga[5,6]Ga[5,6]N[5]O[6])(C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2){1|O<2>,2|C<4>,2|N<3>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	118.7970	1.099	4	118.7970	1.208	4	118.7970	1.208	4	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Ga[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2	N[5](Ga[5]Ga[5]N[5]Cl)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2{1|Cl<1>,1|Ga<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](Ga[5]Ga[5]N[5]Cl)(C[6a]C[6a]2)(C[5]C[5]C){1|Cl<1>,2|N<3>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	119.4275	0.704	4	119.4275	0.495	4	119.0946	1.770	19	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Ga[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2	N[5](Ga[5]N[5]CC)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	N[5](Ga[5]N[5]CC)(C[6a]C[6a]2)(C[5]C[5]C){3|C<3>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	119.0870	2.471	2	119.0870	6.104	2	119.0946	1.770	19	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Ga[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2	N[5](Ga[5]N[5]Cl2)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2{2|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](Ga[5]N[5]Cl2)(C[6a]C[6a]2)(C[5]C[5]C){3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	118.1757	1.299	4	118.1757	1.689	4	119.0946	1.770	19	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Ga[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2	N[5](Ga[5]N[5]Cl2)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2{2|Cl<1>,1|N<3>,2|C<3>,3|H<1>}	N[5](Ga[5]N[5]Cl2)(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	118.5242	1.480	4	118.5242	2.191	4	119.0946	1.770	19	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Ga[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2	N[5](Ga[5]N[5]HH)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2{1|C<3>,1|C<4>,1|N<4>,5|H<1>}	N[5](Ga[5]N[5]HH)(C[6a]C[6a]2)(C[5]C[5]H){1|Li<4>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	119.9640	1.590	2	119.9640	2.527	2	119.0946	1.770	19	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Ga[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2	N[5](Ga[5]N[5]N[6]O[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2{1|C<4>,1|O<3>,2|C<3>,2|H<1>,2|N<3>}	N[5](Ga[5]N[5]N[6]O[5])(C[6a]C[6a]2)(C[5]C[5]C){5|C<3>,5|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	120.0620	0.572	3	120.0620	0.327	3	119.0946	1.770	19	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Ge[5]-4:C[5,5,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5,6]Ge[5])(C[6a]C[6a]C)2	N[5](Ge[5]P[5,5]C[6a]Rh)(C[5,5,6]C[5,5,6]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,5,6]Ge[5])(C[6a]C[6a]C)2{1|Rh<6>,1|C<4>,1|P<4>,2|H<1>,3|C<3>}	N[5](Ge[5]P[5,5]C[6a]Rh)(C[5,5,6]C[5,5,6]2)(C[6a]C[6a]2){1|H<1>,2|N<3>,4|C<3>,5|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ge<4>,1|C<4>,1|H<1>,2|C<3>}	119.0185	0.764	2	119.0185	0.584	2	119.0185	0.584	2	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Ge[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ge[5]C[5])(C[6a]C[6a]C)2	N[5](Ge[5]C[5,5]Ir2)(C[5]N[5,5]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]Ge[5]C[5])(C[6a]C[6a]C)2{2|Ir<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](Ge[5]C[5,5]Ir2)(C[5]N[5,5]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|Ge<4>,2|C<3>,2|C<4>}	119.6545	0.988	2	119.6545	0.976	2	119.3427	1.300	6	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Ge[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ge[5]C[5])(C[6a]C[6a]C)2	N[5](Ge[5]C[5,5]Rh2)(C[5]N[5,5]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]Ge[5]C[5])(C[6a]C[6a]C)2{1|Rh<4>,1|Rh<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](Ge[5]C[5,5]Rh2)(C[5]N[5,5]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|Ge<4>,2|C<3>,2|C<4>}	119.1868	1.321	4	119.1868	1.744	4	119.3427	1.300	6	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Ge[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ge[5]C[5])(C[6a]C[6a]C)2	N[5](Ge[5]C[5]MgN)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]Ge[5]C[5])(C[6a]C[6a]C)2{1|Mg<4>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](Ge[5]C[5]MgN)(C[6a]C[6a]2)(C[5]C[5]C){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|Ge<4>,2|C<3>,2|C<4>}	119.2375	0.583	2	119.2375	0.340	2	119.2535	0.114	4	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Ge[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ge[5]C[5])(C[6a]C[6a]C)2	N[5](Ge[5]N[5]Cl2)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]Ge[5]C[5])(C[6a]C[6a]C)2{2|Cl<1>,1|N<3>,2|C<3>,3|H<1>}	N[5](Ge[5]N[5]Cl2)(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|Ge<4>,2|C<3>,2|C<4>}	119.2695	0.036	2	119.2695	0.001	2	119.2535	0.114	4	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	In[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]In[5]C[5])(C[6a]C[6a]C)2	N[5](In[5]In[5]N[5]Cl)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]In[5]C[5])(C[6a]C[6a]C)2{1|Cl<1>,1|In<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](In[5]In[5]N[5]Cl)(C[6a]C[6a]2)(C[5]C[5]H){1|Cl<1>,1|H<1>,2|C<4>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|In<4>,1|C<4>,1|H<1>,2|C<3>}	119.1710	0.924	4	119.1710	0.854	4	119.1710	0.854	4	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:B[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]B[5]P[5])(C[6a]C[6a]C)2	N[5](P[5]C[6a]2C[5])(B[5]C[5]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]B[5]P[5])(C[6a]C[6a]C)2{2|C<4>,2|H<1>,4|C<3>}	N[5](P[5]C[6a]2C[5])(B[5]C[5]C[6])(C[6a]C[6a]2){1|H<1>,5|C<4>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|P<4>}	119.6960	1.079	2	119.6960	1.164	2	119.6960	1.164	2	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](P[5]C[5,6a]C[6a]Pd)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Pd)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Pd<4>,1|O<1>,2|H<1>,4|C<3>}	N[5](P[5]C[5,6a]C[6a]Pd)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,1|P<4>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Pd){1|P<4>,2|C<3>,2|H<1>}	119.3030	0.000	1	119.3030	0.000	1	119.3030	0.000	1	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](P[5]N[5]FeC)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|Fe<5>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](P[5]N[5]FeC)(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	119.3660	0.014	2	119.3660	0.000	2	118.8172	0.661	14	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](P[5]N[5]Pd2)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{2|Pd<3>,1|N<3>,2|C<3>,3|H<1>}	N[5](P[5]N[5]Pd2)(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	118.4515	0.759	4	118.4515	0.576	4	118.8172	0.661	14	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](P[5]N[5]Pt2)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{2|Pt<3>,1|N<3>,2|C<3>,3|H<1>}	N[5](P[5]N[5]Pt2)(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	118.9742	1.104	4	118.9742	1.219	4	118.8172	0.661	14	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](P[5]N[5]PtH)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|Pt<3>,1|N<3>,2|C<3>,4|H<1>}	N[5](P[5]N[5]PtH)(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	118.7515	0.806	4	118.7515	0.649	4	118.8172	0.661	14	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:Ge[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ge[5]P[5])(C[6a]C[6a]C)2	N[5](P[5]C[6a]2Ge[5])(C[6a]C[6a]2)(Ge[5]P[5]Cl)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ge[5]P[5])(C[6a]C[6a]C)2{1|Cl<1>,1|Ge<3>,1|P<4>,2|H<1>,3|C<3>}	N[5](P[5]C[6a]2Ge[5])(C[6a]C[6a]2)(Ge[5]P[5]Cl){1|Cl<1>,2|C<4>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|C<3>,1|C<4>,1|H<1>,1|P<4>}	119.7353	0.643	4	119.7532	0.823	6	119.7532	0.823	6	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:Ge[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ge[5]P[5])(C[6a]C[6a]C)2	N[5](P[5]C[6a]2Ge[5])(C[6a]C[6a]2)(Ge[5]P[5]Cl)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ge[5]P[5])(C[6a]C[6a]C)2{1|Cl<1>,1|Ge<3>,1|P<4>,2|H<1>,3|C<3>}	N[5](P[5]C[6a]2Ge[5])(C[6a]C[6a]2)(Ge[5]P[5]Cl){1|Ge<3>,2|C<4>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|C<3>,1|C<4>,1|H<1>,1|P<4>}	119.7890	1.694	2	119.7532	0.823	6	119.7532	0.823	6	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Si[4,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Si[4,5]C[5])(C[6a]C[6a]C)2	N[5](Si[4,5]C[4,5]2N)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Si[4,5]C[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	N[5](Si[4,5]C[4,5]2N)(C[6a]C[6a]2)(C[5]C[5]C){1|H<1>,3|C<3>,5|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	119.4820	0.000	1	119.4820	0.000	1	119.5443	0.178	3	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Si[4,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Si[4,5]C[5])(C[6a]C[6a]C)2	N[5](Si[4,5]N[4]N[5]O[4])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Si[4,5]C[5])(C[6a]C[6a]C)2{1|O<2>,2|C<3>,2|N<3>,3|H<1>}	N[5](Si[4,5]N[4]N[5]O[4])(C[6a]C[6a]2)(C[5]C[5]H){1|B<3>,1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	119.5755	0.592	2	119.5755	0.350	2	119.5443	0.178	3	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Si[5,5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Si[5,5]C[5])(C[6a]C[6a]C)2	N[5](Si[5,5]N[5,6]2N[5])(C[5]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Si[5,5]C[5])(C[6a]C[6a]C)2{2|C<3>,3|H<1>,3|N<3>}	N[5](Si[5,5]N[5,6]2N[5])(C[5]C[5,6]H)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	119.3263	0.514	4	119.3263	0.264	4	119.3263	0.264	4	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Si[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]C)2	N[5](Si[5]C[5]SiN)(C[6a]C[6a]2)(C[5]C[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]C)2{1|Si<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5](Si[5]C[5]SiN)(C[6a]C[6a]2)(C[5]C[5]N){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	119.7420	0.625	2	119.7420	0.391	2	119.3087	4.510	6	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Si[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]C)2	N[5](Si[5]N[5]NS)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]C)2{1|N<2>,1|N<3>,1|S<2>,2|C<3>,3|H<1>}	N[5](Si[5]N[5]NS)(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	119.0920	2.683	4	119.0920	7.198	4	119.3087	4.510	6	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Si[5]-4:C[6a]-3:Ge[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ge[5]Si[5])(C[6a]C[6a]C)2	N[5](Si[5]C[5]CC)(C[6a]C[6a]2)(Ge[5]P[5]Br)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ge[5]Si[5])(C[6a]C[6a]C)2{1|Br<1>,1|C<3>,1|P<4>,2|H<1>,3|C<4>}	N[5](Si[5]C[5]CC)(C[6a]C[6a]2)(Ge[5]P[5]Br){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	120.2927	0.407	4	120.2927	0.165	4	120.1100	0.263	16	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Si[5]-4:C[6a]-3:Ge[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ge[5]Si[5])(C[6a]C[6a]C)2	N[5](Si[5]C[5]CC)(C[6a]C[6a]2)(Ge[5]P[5]Cl)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ge[5]Si[5])(C[6a]C[6a]C)2{1|Cl<1>,1|C<3>,1|P<4>,2|H<1>,3|C<4>}	N[5](Si[5]C[5]CC)(C[6a]C[6a]2)(Ge[5]P[5]Cl){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	120.1965	0.600	4	120.1965	0.360	4	120.1100	0.263	16	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Si[5]-4:C[6a]-3:Ge[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ge[5]Si[5])(C[6a]C[6a]C)2	N[5](Si[5]C[6a]2C[5])(C[6a]C[6a]2)(Ge[5]P[5]Br)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ge[5]Si[5])(C[6a]C[6a]C)2{1|Br<1>,1|C<4>,1|P<4>,2|H<1>,3|C<3>}	N[5](Si[5]C[6a]2C[5])(C[6a]C[6a]2)(Ge[5]P[5]Br){2|C<4>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	119.8345	1.131	2	119.8345	1.278	2	120.1100	0.263	16	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Si[5]-4:C[6a]-3:Ge[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ge[5]Si[5])(C[6a]C[6a]C)2	N[5](Si[5]C[6a]2C[5])(C[6a]C[6a]2)(Ge[5]P[5]Cl)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ge[5]Si[5])(C[6a]C[6a]C)2{1|Cl<1>,1|C<4>,1|P<4>,2|H<1>,3|C<3>}	N[5](Si[5]C[6a]2C[5])(C[6a]C[6a]2)(Ge[5]P[5]Cl){2|C<4>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	120.0223	0.381	6	120.0223	0.145	6	120.1100	0.263	16	119.2409	1.456	257	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F)	C[6a](C[6a]C[6a]F)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){2|F<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	123.6320	2.539	2	123.6320	6.444	2	123.6320	6.444	2	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]N[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	N[5](C[5]N[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	118.8600	0.000	1	118.8600	0.000	1	120.9690	1.437	40	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(N[5]C[5]2)	N[5](C[5]N[5]PdH)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(N[5]C[5]2){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[5](C[5]N[5]PdH)(C[6a]C[6a]2)(C[5]C[5]HH){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>,2|C<4>}	118.8960	0.000	1	118.8960	0.000	1	120.9690	1.437	40	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,6|H<1>}	N[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<1>,2|C<4>}	120.9545	0.753	4	120.9545	0.567	4	120.9690	1.437	40	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HN)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	N[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HN){3|C<3>,3|N<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.8935	1.019	8	120.8935	1.037	8	120.9690	1.437	40	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|Si<4>,1|C<3>,2|C<4>,5|H<1>}	N[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,2|C<3>,2|F<1>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	121.5655	2.235	2	121.5655	4.996	2	120.9690	1.437	40	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	N[5](C[5]C[5a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]CH){1|S<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.4835	0.988	2	120.4835	0.976	2	120.9690	1.437	40	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	N[5](C[5]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|Cd<5>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.7365	3.655	2	120.7365	13.359	2	120.9690	1.437	40	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]CO)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]CO){5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.0840	0.643	4	121.0840	0.413	4	120.9690	1.437	40	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<2>,2|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH){5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	121.1395	2.645	2	121.1395	6.998	2	120.9690	1.437	40	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]2H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|C<3>,3|C<4>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]2H){1|C<4>,5|C<3>,7|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	121.5565	0.769	2	121.5565	0.591	2	120.9690	1.437	40	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH){1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	121.5110	0.294	2	121.5110	0.087	2	120.9690	1.437	40	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|C<3>,2|C<4>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	121.1550	1.260	2	121.0773	0.853	4	120.9690	1.437	40	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|C<3>,2|C<4>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	120.9995	0.974	2	121.0773	0.853	4	120.9690	1.437	40	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]S[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]S[5]CC){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.2815	1.154	4	121.2815	1.332	4	120.9690	1.437	40	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.1410	0.564	2	121.1410	0.318	2	120.9690	1.437	40	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	B[5,5a]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]B[5,5a]C[5])(C[6a]C[6a]H)2	N[5](B[5,5a]O[5a]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]B[5,5a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|O<2>,3|H<1>}	N[5](B[5,5a]O[5a]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|F<1>,1|H<1>}	121.1150	1.952	2	121.2635	1.942	4	121.2635	1.942	4	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	B[5,5a]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]B[5,5a]C[5])(C[6a]C[6a]H)2	N[5](B[5,5a]O[5a]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]B[5,5a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|O<2>,3|H<1>}	N[5](B[5,5a]O[5a]2N[5])(C[6a]C[6a]2)(C[5]C[5]CH){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	121.4120	1.389	2	121.2635	1.942	4	121.2635	1.942	4	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	B[5]-4:C[6a]-3:P[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]B[5]P[5])(C[6a]C[6a]H)2	N[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(P[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]B[5]P[5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>,4|C<4>}	N[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(P[5]C[5]CC){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|P<4>,2|H<1>}	120.9988	1.363	4	120.7265	1.247	8	120.7265	1.247	8	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	B[5]-4:C[6a]-3:P[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]B[5]P[5])(C[6a]C[6a]H)2	N[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(P[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]B[5]P[5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>,4|C<4>}	N[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(P[5]C[5]CC){4|H<1>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|P<4>,2|H<1>}	120.2485	0.309	2	120.7265	1.247	8	120.7265	1.247	8	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	B[5]-4:C[6a]-3:P[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]B[5]P[5])(C[6a]C[6a]H)2	N[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(P[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]B[5]P[5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>,4|C<4>}	N[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(P[5]C[5]CC){5|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|P<4>,2|H<1>}	120.6600	1.516	2	120.7265	1.247	8	120.7265	1.247	8	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.6360	0.000	1	121.4273	0.406	13	121.2252	0.717	38	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	121.3215	0.224	2	121.4273	0.406	13	121.2252	0.717	38	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	121.5935	0.759	6	121.4273	0.406	13	121.2252	0.717	38	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	121.2645	0.961	2	121.4273	0.406	13	121.2252	0.717	38	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	121.0930	0.717	2	121.4273	0.406	13	121.2252	0.717	38	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N)(H){1|C<3>,2|C<4>,2|H<1>}	120.9340	0.000	1	120.9340	0.000	1	121.2252	0.717	38	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|N<2>,2|C<4>,3|C<3>,3|H<1>}	N[5](C[5,5]C[5,5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.1735	0.514	2	121.1735	0.264	2	121.2252	0.717	38	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,4|H<1>}	N[5](C[5,5]C[5,5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<2>,1|N<2>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.7630	1.027	2	120.7630	1.054	2	121.2252	0.717	38	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,5|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.9555	0.384	2	121.0475	0.289	8	121.2252	0.717	38	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,5|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.0915	0.303	2	121.0475	0.289	8	121.2252	0.717	38	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,5|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.0715	0.766	4	121.0475	0.289	8	121.2252	0.717	38	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|O<1>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	121.1680	2.268	2	121.1680	5.146	2	121.2252	0.717	38	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.3420	1.228	2	121.3420	1.507	2	121.2252	0.717	38	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH){1|N<2>,1|N<3>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	120.9715	2.662	2	120.9715	7.088	2	121.2252	0.717	38	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]CH){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	121.2255	1.261	2	121.2255	1.590	2	121.2252	0.717	38	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	121.3503	0.695	4	121.3503	0.484	4	121.2252	0.717	38	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH){1|C<2>,1|N<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	120.9665	0.467	2	120.9665	0.218	2	121.3237	1.450	20	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<1>,2|C<4>}	122.0625	2.297	2	121.3074	1.469	16	121.3237	1.450	20	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.2624	1.008	12	121.3074	1.469	16	121.3237	1.450	20	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|S<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.8225	1.986	2	121.3074	1.469	16	121.3237	1.450	20	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	N[5](C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,4|C<3>,8|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	121.8115	2.136	2	121.8115	4.563	2	121.3237	1.450	20	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](P[5]C[6a]O[5]S)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<1>,2|C<3>,4|H<1>}	N[5](P[5]C[6a]O[5]S)(C[6a]C[6a]2)(C[5]C[5]HH){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	119.4202	0.425	4	119.4202	0.180	4	120.1945	1.722	21	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](P[5]N[5]ClNi)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Cl<1>,1|Ni<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](P[5]N[5]ClNi)(C[6a]C[6a]2)(C[5]C[5]HH){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|P<4>}	121.1580	0.000	1	121.1580	0.000	1	120.1945	1.722	21	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](P[5]N[5]ClPt)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Cl<1>,1|Pt<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](P[5]N[5]ClPt)(C[6a]C[6a]2)(C[5]C[5]HH){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|P<4>}	116.9170	0.000	1	116.9170	0.000	1	120.1945	1.722	21	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](P[5]N[5]CoO)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Co<5>,1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	N[5](P[5]N[5]CoO)(C[6a]C[6a]2)(C[5]C[5]HH){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|P<4>}	119.1775	0.476	2	119.1775	0.226	2	120.1945	1.722	21	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](P[5]N[5]Ni2)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){2|Ni<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](P[5]N[5]Ni2)(C[6a]C[6a]2)(C[5]C[5]HH){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|P<4>}	120.2285	1.128	6	120.2285	1.273	6	120.1945	1.722	21	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](P[5]N[5]NiF)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Ni<4>,1|C<3>,1|C<4>,1|F<1>,1|N<3>,4|H<1>}	N[5](P[5]N[5]NiF)(C[6a]C[6a]2)(C[5]C[5]HH){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|P<4>}	119.7370	0.000	1	119.7370	0.000	1	120.1945	1.722	21	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](P[5]N[5]Pt2)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Pt<3>,1|Pt<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](P[5]N[5]Pt2)(C[6a]C[6a]2)(C[5]C[5]HH){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|P<4>}	121.6887	0.253	4	121.6887	0.064	4	120.1945	1.722	21	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2	N[5](P[5]C[6a]N[5]O)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	N[5](P[5]C[6a]N[5]O)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	121.0555	0.598	2	121.0555	0.357	2	120.1945	1.722	21	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	Si[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]H)2	N[5](Si[5]Si[5,6]N[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]H)2{1|Si<5>,1|C<3>,1|N<3>,2|C<4>,4|H<1>}	N[5](Si[5]Si[5,6]N[5]C)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	121.4325	1.318	4	121.4325	1.737	4	121.2969	1.394	8	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	Si[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]H)2	N[5](Si[5]Si[6]N[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]H)2{1|Si<4>,1|C<3>,1|N<3>,2|C<4>,4|H<1>}	N[5](Si[5]Si[6]N[5]C)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	121.1612	1.211	4	121.1612	1.467	4	121.2969	1.394	8	121.0240	1.488	141	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:3:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](P[5]C[6a]O[5]S)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CNS)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<1>,2|C<3>,4|H<1>}	N[5](P[5]C[6a]O[5]S)(C[6a]C[6a]2)(C[5]C[5]HH){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CNS){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	120.7717	0.301	4	120.7717	0.090	4	120.7717	0.090	4	120.7717	0.090	4	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]N[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[5a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	N[5](C[5]N[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[5a]HH){1|C<3>,2|C<4>,2|H<1>}	123.0520	0.000	1	123.0520	0.000	1	120.5558	3.407	32	120.1742	2.387	99	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[5]2C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,2|B<3>,2|H<1>,4|C<4>}	N[5](C[5]B[5]2C[5])(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>,4|O<2>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,3|C<4>}	121.0533	2.128	6	121.0533	4.528	6	120.5558	3.407	32	120.1742	2.387	99	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<3>,1|C<3>,3|H<1>,4|C<4>}	N[5](C[5]B[5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC){1|B<3>,2|C<3>,2|H<1>,5|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,3|C<4>}	120.2970	3.770	2	120.3425	5.729	4	120.5558	3.407	32	120.1742	2.387	99	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<3>,1|C<3>,3|H<1>,4|C<4>}	N[5](C[5]B[5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC){1|B<4>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,3|C<4>}	120.3880	1.721	2	120.3425	5.729	4	120.5558	3.407	32	120.1742	2.387	99	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[5a]2C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,2|B<3>,2|H<1>,4|C<4>}	N[5](C[5]B[5a]2C[5])(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>,4|O<2>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,3|C<4>}	120.9220	2.565	2	120.9220	6.581	2	120.5558	3.407	32	120.1742	2.387	99	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]B[6]2C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,2|B<3>,2|H<1>,4|C<4>}	N[5](C[5]B[6]2C[5])(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>,4|O<2>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,3|C<4>}	121.2185	1.876	2	121.2185	3.519	2	120.5558	3.407	32	120.1742	2.387	99	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]HP)(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|P<3>,3|H<1>,4|C<4>}	N[5](C[5]C[5,6]HP)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,3|C<4>}	121.0930	2.619	2	121.0930	6.860	2	120.5558	3.407	32	120.1742	2.387	99	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5]AlH)(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Al<3>,1|C<3>,3|H<1>,4|C<4>}	N[5](C[5]C[5]AlH)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,3|C<4>}	120.3125	2.299	4	120.3125	5.283	4	120.5558	3.407	32	120.1742	2.387	99	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5]GaH)(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ga<4>,1|C<3>,3|H<1>,4|C<4>}	N[5](C[5]C[5]GaH)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,3|C<4>}	120.5102	2.165	4	120.5102	4.688	4	120.5558	3.407	32	120.1742	2.387	99	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5]NiC)(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<5>,1|C<3>,2|H<1>,5|C<4>}	N[5](C[5]C[5]NiC)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,3|C<4>}	119.7800	0.000	1	119.7800	0.000	1	120.5558	3.407	32	120.1742	2.387	99	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Si<3>,1|C<3>,3|H<1>,4|C<4>}	N[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,3|C<4>}	119.2240	0.264	4	119.2240	0.070	4	120.5558	3.407	32	120.1742	2.387	99	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]N[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	N[5](C[5]N[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC){2|H<1>,4|C<3>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,3|C<4>}	120.3055	1.008	2	120.3055	1.015	2	120.5558	3.407	32	120.1742	2.387	99	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(N[5]C[5]2)	N[5](C[5]N[5]PdH)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Pd)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(N[5]C[5]2){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[5](C[5]N[5]PdH)(C[6a]C[6a]2)(C[5]C[5]HH){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Pd){1|C<3>,2|C<4>,2|H<1>}	122.7170	0.000	1	122.7170	0.000	1	122.7170	0.000	1	120.1742	2.387	99	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	B[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](B[5]N[5,6]ClH)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<4>,5|H<1>}	N[5](B[5]N[5,6]ClH)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|B<4>,1|C<3>,1|H<1>,2|C<4>}	120.0180	0.000	1	120.0180	0.000	1	120.0180	0.000	1	120.1742	2.387	99	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[4,5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[4,5]C[5])(C[6a]C[6a]C)2	N[5](C[4,5]B[4]C[4]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[4,5]C[5])(C[6a]C[6a]C)2{1|B<3>,2|C<3>,2|H<1>,4|C<4>}	N[5](C[4,5]B[4]C[4]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){1|B<3>,1|N<2>,1|N<3>,2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,3|C<4>}	120.9750	2.198	2	120.9750	4.830	2	120.9750	4.830	2	120.1742	2.387	99	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	N[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]CC){1|O<1>,2|H<1>,3|C<3>,5|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,3|C<4>}	120.7585	1.863	2	120.7585	3.472	2	120.1818	2.490	6	120.1742	2.387	99	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5]N[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	N[5](C[5,5]C[5]N[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<3>,4|C<4>}	119.8935	1.631	4	119.8935	2.660	4	120.1818	2.490	6	120.1742	2.387	99	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Ga[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2	N[5](Ga[5]N[5,6]ClH)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<4>,5|H<1>}	N[5](Ga[5]N[5,6]ClH)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<3>,1|H<1>,2|C<4>}	119.9495	0.528	2	119.9495	0.279	2	120.2963	0.289	6	120.1742	2.387	99	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Ga[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2	N[5](Ga[5]N[5,6]Ga[5]Cl)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2{1|Cl<1>,1|Ga<4>,1|C<3>,1|C<4>,1|N<4>,4|H<1>}	N[5](Ga[5]N[5,6]Ga[5]Cl)(C[6a]C[6a]2)(C[5]C[5]HH){1|Cl<1>,1|N<3>,1|N<4>,2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<3>,1|H<1>,2|C<4>}	120.3940	0.409	2	120.3940	0.167	2	120.2963	0.289	6	120.1742	2.387	99	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Ga[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2	N[5](Ga[5]N[5]CC)(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,2|H<1>,4|C<4>}	N[5](Ga[5]N[5]CC)(C[6a]C[6a]2)(C[5]C[5]CC){3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<3>,1|H<1>,2|C<4>}	120.5455	0.784	2	120.5455	0.615	2	120.2963	0.289	6	120.1742	2.387	99	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	P[3,5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]P[3,5]C[5])(C[6a]C[6a]C)2	N[5](P[3,5]C[3]N[5]P[3])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]P[3,5]C[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|P<2>,2|C<3>,4|H<1>}	N[5](P[3,5]C[3]N[5]P[3])(C[6a]C[6a]2)(C[5]C[5]HH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,1|P<4>,2|C<4>}	118.8090	1.024	4	118.8090	1.048	4	118.8090	1.048	4	120.1742	2.387	99	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](P[5]C[6a]N[5]Pd)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|Pd<5>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](P[5]C[6a]N[5]Pd)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,1|P<4>,2|C<4>}	119.7273	1.106	12	119.7273	1.222	12	119.5534	1.075	28	120.1742	2.387	99	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](P[5]C[6a]N[5]Pd)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|Pd<5>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](P[5]C[6a]N[5]Pd)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|P<4>,3|C<4>}	119.8323	0.311	4	119.8323	0.097	4	119.5534	1.075	28	120.1742	2.387	99	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](P[5]N[5]ClNi)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|Cl<1>,1|Ni<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](P[5]N[5]ClNi)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|P<4>,3|C<4>}	119.1435	0.569	2	119.1435	0.324	2	119.5534	1.075	28	120.1742	2.387	99	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](P[5]N[5]ClO)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	N[5](P[5]N[5]ClO)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,1|P<4>,2|C<4>}	119.0655	0.610	4	119.0655	0.372	4	119.5534	1.075	28	120.1742	2.387	99	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](P[5]N[5]Ni2)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{2|Ni<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](P[5]N[5]Ni2)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|P<4>,3|C<4>}	119.5397	1.982	4	119.5397	3.930	4	119.5534	1.075	28	120.1742	2.387	99	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](P[5]N[5]NiF)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|Ni<4>,1|C<3>,1|C<4>,1|F<1>,1|N<3>,4|H<1>}	N[5](P[5]N[5]NiF)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|P<4>,3|C<4>}	119.3655	0.139	2	119.3655	0.019	2	119.5534	1.075	28	120.1742	2.387	99	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:P-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](P[5]N[5]ClNi)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Ni)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Cl<1>,1|Ni<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](P[5]N[5]ClNi)(C[6a]C[6a]2)(C[5]C[5]HH){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Ni){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	118.6790	0.000	1	118.6790	0.000	1	120.6974	2.925	15	120.1742	2.387	99	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:P-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](P[5]N[5]ClPt)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Pt)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Cl<1>,1|Pt<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](P[5]N[5]ClPt)(C[6a]C[6a]2)(C[5]C[5]HH){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Pt){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	124.8580	0.000	1	124.8580	0.000	1	120.6974	2.925	15	120.1742	2.387	99	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:P-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](P[5]N[5]CoO)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Co)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Co<5>,1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	N[5](P[5]N[5]CoO)(C[6a]C[6a]2)(C[5]C[5]HH){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Co){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	122.5800	0.429	2	122.5800	0.184	2	120.6974	2.925	15	120.1742	2.387	99	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:P-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](P[5]N[5]Ni2)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Ni)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){2|Ni<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](P[5]N[5]Ni2)(C[6a]C[6a]2)(C[5]C[5]HH){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Ni){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	120.2713	1.177	6	120.2713	1.385	6	120.6974	2.925	15	120.1742	2.387	99	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:P-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](P[5]N[5]NiF)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Ni)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Ni<4>,1|C<3>,1|C<4>,1|F<1>,1|N<3>,4|H<1>}	N[5](P[5]N[5]NiF)(C[6a]C[6a]2)(C[5]C[5]HH){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Ni){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	120.9140	0.000	1	120.9140	0.000	1	120.6974	2.925	15	120.1742	2.387	99	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:P-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](P[5]N[5]Pt2)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Pt)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Pt<3>,1|Pt<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](P[5]N[5]Pt2)(C[6a]C[6a]2)(C[5]C[5]HH){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Pt){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	119.8055	0.593	4	119.8055	0.352	4	120.6974	2.925	15	120.1742	2.387	99	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Si[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]C)2	N[5](Si[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	N[5](Si[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	119.6778	0.468	4	119.6778	0.219	4	119.6778	0.219	4	120.1742	2.387	99	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]F)(N[5]C[5]2)	N[5](C[5]C[5,6]HH)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[5])(F)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]F)(N[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	N[5](C[5]C[5,6]HH)2(C[6a]C[6a]2){1|C<4>,1|F<1>,1|N<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[5])(F){1|O<2>,2|C<3>,2|C<4>}	123.7916	0.544	7	123.7916	0.296	7	123.9885	0.564	8	121.1992	1.603	102	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,5a]HH)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[5]C[5]2){3|C<3>,6|H<1>}	N[5](C[5]C[5,5a]HH)2(C[6a]C[6a]2){1|F<1>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	125.3670	0.000	1	125.3670	0.000	1	123.9885	0.564	8	121.1992	1.603	102	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6]HH)(C[5]C[5,6]HN)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5,6]HN)(C[6a]C[6a]2){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	120.7260	0.000	1	120.7260	0.000	1	120.8615	0.625	40	121.1992	1.603	102	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2){1|C<4>,3|H<1>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	118.7810	0.389	2	118.7810	0.151	2	120.8615	0.625	40	121.1992	1.603	102	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,5a]HH)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[5]C[5]2){3|C<3>,6|H<1>}	N[5](C[5]C[5,5a]HH)2(C[6a]C[6a]2){1|F<1>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|N<3>,2|C<4>}	121.2740	0.000	1	121.2740	0.000	1	120.8615	0.625	40	121.1992	1.603	102	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){2|C<3>,2|C<4>,5|H<1>}	N[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	121.1200	0.000	1	121.1200	0.000	1	120.8615	0.625	40	121.1992	1.603	102	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[3,5]C[6a]H)(C[5]N[3,5]C[6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5](C[5]C[3,5]C[6a]H)(C[5]N[3,5]C[6a]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	120.3990	0.000	1	120.3990	0.000	1	120.8615	0.625	40	121.1992	1.603	102	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2){1|O<2>,3|H<1>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	119.9110	0.000	1	120.5782	0.211	6	120.8615	0.625	40	121.1992	1.603	102	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){4|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2){1|H<1>,1|O<2>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	120.6120	0.328	4	120.5782	0.211	6	120.8615	0.625	40	121.1992	1.603	102	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){4|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	121.1100	0.000	1	120.5782	0.211	6	120.8615	0.625	40	121.1992	1.603	102	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[3,5]HH)(C[5]N[3,5]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	N[5](C[5]C[3,5]HH)(C[5]N[3,5]HH)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<1>,2|C<4>}	121.1025	0.851	2	121.1025	0.724	2	120.8615	0.625	40	121.1992	1.603	102	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]HH)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,6|H<1>}	N[5](C[5]C[5,5]HH)2(C[6a]C[6a]2){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.7785	0.828	2	120.7785	0.686	2	120.8615	0.625	40	121.1992	1.603	102	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5a]CH)(C[5]C[5,5a]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,3|C<3>,5|H<1>}	N[5](C[5]C[5,5a]CH)(C[5]C[5,5a]HH)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	121.2035	0.810	2	121.2035	0.656	2	120.8615	0.625	40	121.1992	1.603	102	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6,6]HH)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,6|H<1>}	N[5](C[5]C[5,6,6]HH)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.0110	0.892	2	121.0110	0.796	2	120.8615	0.625	40	121.1992	1.603	102	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,4|C<3>,4|H<1>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,3|C<4>}	121.2945	1.528	2	121.2945	2.335	2	120.8615	0.625	40	121.1992	1.603	102	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<2>,3|C<3>,5|H<1>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	121.2090	1.478	2	121.1200	1.035	4	120.8615	0.625	40	121.1992	1.603	102	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,4|C<3>,4|H<1>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	121.0310	0.943	2	121.1200	1.035	4	120.8615	0.625	40	121.1992	1.603	102	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){3|C<3>,6|H<1>}	N[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2){2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.0610	0.204	2	121.0610	0.041	2	120.8615	0.625	40	121.1992	1.603	102	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5a]C[6a]N[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|N<3>,3|H<1>,4|C<3>}	N[5](C[5]C[5a]C[6a]N[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,9|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.4660	1.130	2	121.4660	1.277	2	120.8615	0.625	40	121.1992	1.603	102	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,4|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6a]C[6a]2){1|O<1>,1|S<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.7802	0.184	4	120.7802	0.034	4	120.8615	0.625	40	121.1992	1.603	102	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	121.1285	0.538	2	121.1285	0.290	2	120.8615	0.625	40	121.1992	1.603	102	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2){6|C<3>,6|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	121.0547	0.675	4	121.0547	0.456	4	120.8615	0.625	40	121.1992	1.603	102	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	B[5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]B[5]C[5])(C[6a]C[6a]H)2	N[5](B[5]N[5,6]HH)(C[5]C[5,6]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,6|H<1>}	N[5](B[5]N[5,6]HH)(C[5]C[5,6]HH)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	121.3070	2.370	2	121.3070	5.618	2	121.2465	2.422	4	121.1992	1.603	102	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	B[5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]B[5]C[5])(C[6a]C[6a]H)2	N[5](B[5]N[5,6]HO)(C[5]C[5,6]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	N[5](B[5]N[5,6]HO)(C[5]C[5,6]HH)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	121.1860	1.278	2	121.1860	1.634	2	121.2465	2.422	4	121.1992	1.603	102	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[4,5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[4,5]C[5])(C[6a]C[6a]H)2	N[5](C[4,5]C[4,5,6]C[4,5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[4,5]C[5])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	N[5](C[4,5]C[4,5,6]C[4,5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2){2|C<4>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.1715	1.194	2	121.1715	1.426	2	121.1175	1.456	4	121.1992	1.603	102	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[4,5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[4,5]C[5])(C[6a]C[6a]H)2	N[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[4,5]C[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	N[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2){5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.0635	1.712	2	121.0635	2.931	2	121.1175	1.456	4	121.1992	1.603	102	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5,6])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5,6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	121.1395	0.019	2	121.1395	0.000	2	121.1395	0.000	2	121.1992	1.603	102	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[3x5,6]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	N[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[3x5,6]HH)(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	121.2625	1.696	2	121.2625	2.878	2	120.9588	1.895	20	121.1992	1.603	102	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,4|H<1>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	120.7540	2.940	2	120.7540	8.644	2	120.9588	1.895	20	121.1992	1.603	102	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,4|H<1>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.0110	0.594	2	121.0110	0.353	2	120.9588	1.895	20	121.1992	1.603	102	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.9095	0.343	2	120.9095	0.118	2	120.9588	1.895	20	121.1992	1.603	102	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,4|H<1>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.8710	1.388	8	120.8710	1.928	8	120.9588	1.895	20	121.1992	1.603	102	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,1|S<4>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.4670	0.515	2	121.4670	0.265	2	120.9588	1.895	20	121.1992	1.603	102	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	120.7000	3.042	2	120.7000	9.254	2	120.9588	1.895	20	121.1992	1.603	102	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|N<3>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.4875	1.831	2	121.4875	3.351	2	121.0115	1.253	14	121.1992	1.603	102	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]C[6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]C[6a]C)(C[6a]C[6a]2){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	121.5300	2.355	2	121.5300	5.544	2	121.0115	1.253	14	121.1992	1.603	102	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[3,3,6]C[5]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<5>,2|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[3,3,6]C[5]C)(C[6a]C[6a]2){1|C<4>,2|O<2>,2|O<3>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	120.8520	0.708	4	120.8520	0.501	4	121.0115	1.253	14	121.1992	1.603	102	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.4865	1.033	2	121.4865	1.067	2	121.0115	1.253	14	121.1992	1.603	102	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	N[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]CH)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	120.6740	1.302	2	120.6740	1.696	2	121.0115	1.253	14	121.1992	1.603	102	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]FF)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,2|F<1>,3|H<1>}	N[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]FF)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.1985	0.192	2	120.1985	0.037	2	121.0115	1.253	14	121.1992	1.603	102	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:P[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]HH)(P[5]N[5,5]CO)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	N[5](C[5]C[5,5]HH)(P[5]N[5,5]CO)(C[6a]C[6a]2){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	120.9380	0.614	2	120.9380	0.377	2	120.9767	0.216	4	121.1992	1.603	102	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:P[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]HH)(P[5]N[5,5]NN)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,2|N<3>,4|H<1>}	N[5](C[5]C[5,5]HH)(P[5]N[5,5]NN)(C[6a]C[6a]2){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	121.0155	0.515	2	121.0155	0.266	2	120.9767	0.216	4	121.1992	1.603	102	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2	N[5](P[5]N[5,5]C[6a]B)(C[5]C[5,5]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](P[5]N[5,5]C[6a]B)(C[5]C[5,5]HH)(C[6a]C[6a]2){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	121.1145	0.474	2	121.1145	0.225	2	121.1615	0.069	6	121.1992	1.603	102	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2	N[5](P[5]N[5,5]C[6a]O)(C[5]C[5,5]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	N[5](P[5]N[5,5]C[6a]O)(C[5]C[5,5]HH)(C[6a]C[6a]2){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	121.1850	0.196	4	121.1850	0.038	4	121.1615	0.069	6	121.1992	1.603	102	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]F)(N[5]C[5]2)	N[5](C[5]C[5,6]HH)2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5])(OC)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]F)(N[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	N[5](C[5]C[5,6]HH)2(C[6a]C[6a]2){1|C<4>,1|F<1>,1|N<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5])(OC){1|F<1>,3|C<3>,3|C<4>}	120.6600	0.529	7	120.6600	0.280	7	120.6600	0.280	7	121.9574	2.122	14	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[3,5]C[6a]H)(C[5]N[3,5]C[6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5](C[5]C[3,5]C[6a]H)(C[5]N[3,5]C[6a]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|C<4>,2|H<1>}	123.7030	0.000	1	123.7030	0.000	1	123.2547	0.389	7	121.9574	2.122	14	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2){1|O<2>,3|H<1>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|C<4>,2|H<1>}	124.1470	0.000	1	123.1800	0.420	6	123.2547	0.389	7	121.9574	2.122	14	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){4|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2){1|H<1>,1|O<2>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|C<4>,2|H<1>}	123.0435	0.552	4	123.1800	0.420	6	123.2547	0.389	7	121.9574	2.122	14	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){4|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|C<4>,2|H<1>}	122.7590	0.000	1	123.1800	0.420	6	123.2547	0.389	7	121.9574	2.122	14	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){2|C<3>,2|C<4>,5|H<1>}	N[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO){1|C<3>,2|C<4>,2|H<1>}	124.1410	0.000	1	124.1410	0.000	1	124.1410	0.000	1	124.1410	0.000	1	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6]HH)(C[5]C[5,6]HN)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	N[5](C[5]C[5,6]HH)(C[5]C[5,6]HN)(C[6a]C[6a]2){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHN){1|C<3>,2|C<4>,2|H<1>}	120.5440	0.000	1	120.5440	0.000	1	122.6093	3.199	3	121.1139	3.633	7	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2){1|C<4>,3|H<1>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	123.6420	0.013	2	123.6420	0.000	2	122.6093	3.199	3	121.1139	3.633	7	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:Ga[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2	N[5](C[5]C[5,6]C[5]H)(Ga[5]N[5,6]II)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|I<1>,3|H<1>}	N[5](C[5]C[5,6]C[5]H)(Ga[5]N[5,6]II)(C[6a]C[6a]2){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<3>,1|H<1>,2|C<4>}	120.1530	1.667	2	120.1530	2.780	2	120.1530	2.780	2	121.1139	3.633	7	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](P[5]C[5,6a]Pd2)(C[5]C[5,6a]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{2|Pd<3>,3|C<3>,4|H<1>}	N[5](P[5]C[5,6a]Pd2)(C[5]C[5,6a]HH)(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,1|P<4>,2|C<4>}	119.8315	0.882	2	119.8315	0.778	2	119.8315	0.778	2	121.1139	3.633	7	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:5:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:Si[5]-5:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]C)2	N[5](C[5]C[5,6]C[5]H)(Si[5]N[5,6]Cl3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]C)2{3|Cl<1>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]C[5,6]C[5]H)(Si[5]N[5,6]Cl3)(C[6a]C[6a]2){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Si<5>,1|C<3>,1|H<1>,2|C<4>}	119.6740	1.150	4	119.6740	1.323	4	119.6740	1.323	4	119.5715	1.387	12	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:5:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:Ge[5]-5:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ge[5]P[5])(C[6a]C[6a]C)2	N[5](P[5]C[6a]2C[5])(Ge[5]C[5]Cl3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]Ge[5]P[5])(C[6a]C[6a]C)2{3|Cl<1>,2|H<1>,5|C<3>}	N[5](P[5]C[6a]2C[5])(Ge[5]C[5]Cl3)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|Ge<5>,1|C<3>,1|P<4>,2|C<4>}	119.5495	1.350	2	119.5495	1.822	2	119.5495	1.822	2	119.5715	1.387	12	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:5:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:Si[5]-5:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Si[5]P[5])(C[6a]C[6a]C)2	N[5](P[5]C[6a]2C[5])(Si[5]C[5]Cl2C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Si[5]P[5])(C[6a]C[6a]C)2{2|Cl<1>,1|C<4>,2|H<1>,5|C<3>}	N[5](P[5]C[6a]2C[5])(Si[5]C[5]Cl2C)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Si<5>,1|C<3>,1|C<4>,1|H<1>,1|P<4>}	119.5065	1.122	2	119.5065	1.259	2	119.5105	1.881	6	119.5715	1.387	12	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:5:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:Si[5]-5:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Si[5]P[5])(C[6a]C[6a]C)2	N[5](P[5]C[6a]2C[5])(Si[5]C[5]Cl2C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]Si[5]P[5])(C[6a]C[6a]C)2{2|Cl<1>,1|C<4>,2|H<1>,5|C<3>}	N[5](P[5]C[6a]2C[5])(Si[5]C[5]Cl2C)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|Si<5>,1|C<3>,1|P<4>,2|C<4>}	119.5485	1.927	2	119.5485	3.713	2	119.5105	1.881	6	119.5715	1.387	12	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	4:5:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:Si[5]-5:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Si[5]P[5])(C[6a]C[6a]C)2	N[5](P[5]C[6a]2C[5])(Si[5]C[5]Cl3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]Si[5]P[5])(C[6a]C[6a]C)2{3|Cl<1>,2|H<1>,5|C<3>}	N[5](P[5]C[6a]2C[5])(Si[5]C[5]Cl3)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|Si<5>,1|C<3>,1|P<4>,2|C<4>}	119.4765	2.104	2	119.4765	4.425	2	119.5105	1.881	6	119.5715	1.387	12	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	5:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-5:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5]Gd2O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{2|Gd<14>,1|O<3>,2|H<1>,3|C<3>}	N[5](C[5]C[5]Gd2O)(C[6a]C[6a]2)(N[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<5>,1|N<2>,2|H<1>}	119.9055	2.095	2	119.9055	4.390	2	119.8145	3.762	6	119.8145	3.762	6	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	5:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-5:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5]Tb2O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{2|Tb<14>,1|O<3>,2|H<1>,3|C<3>}	N[5](C[5]C[5]Tb2O)(C[6a]C[6a]2)(N[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<5>,1|N<2>,2|H<1>}	119.8110	2.705	2	119.8110	7.319	2	119.8145	3.762	6	119.8145	3.762	6	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	5:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-5:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5]Tm2O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{2|Tm<14>,1|O<3>,2|H<1>,3|C<3>}	N[5](C[5]C[5]Tm2O)(C[6a]C[6a]2)(N[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<5>,1|N<2>,2|H<1>}	119.7270	2.659	2	119.7270	7.069	2	119.8145	3.762	6	119.8145	3.762	6	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	5:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	In[5]-5:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]In[5]C[5])(C[6a]C[6a]H)2	N[5](In[5]N[5]Cl3)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]In[5]C[5])(C[6a]C[6a]H)2{3|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](In[5]N[5]Cl3)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|In<5>,2|C<3>,2|H<1>}	119.4095	0.428	4	119.4095	0.183	4	119.4095	0.183	4	119.4095	0.183	4	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	5:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Ga[3,3,5]-5:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ga[3,3,5]C[5])(C[6a]C[6a]C)2	N[5](Ga[3,3,5]Ga[3,3,5]N[3]2N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ga[3,3,5]C[5])(C[6a]C[6a]C)2{1|Ga<5>,2|C<3>,3|H<1>,3|N<3>}	N[5](Ga[3,3,5]Ga[3,3,5]N[3]2N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|Si<4>,1|H<1>,2|C<4>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<5>,1|C<4>,1|H<1>,2|C<3>}	119.5624	1.521	8	119.5624	2.314	8	119.5624	2.314	8	119.3524	0.924	38	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	5:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Ga[5,5]-5:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ga[5,5]C[5])(C[6a]C[6a]C)2	N[5](Ga[5,5]N[5,6]2N[5]Cl)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ga[5,5]C[5])(C[6a]C[6a]C)2{1|Cl<1>,2|C<3>,3|H<1>,3|N<3>}	N[5](Ga[5,5]N[5,6]2N[5]Cl)(C[5]C[5,6]H)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<5>,1|C<4>,1|H<1>,2|C<3>}	119.4805	0.172	2	119.4805	0.030	2	119.2995	0.025	8	119.3524	0.924	38	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	5:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Ga[5,5]-5:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ga[5,5]C[5])(C[6a]C[6a]C)2	N[5](Ga[5,5]N[5,6]2N[5]O)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ga[5,5]C[5])(C[6a]C[6a]C)2{1|O<3>,2|C<3>,3|H<1>,3|N<3>}	N[5](Ga[5,5]N[5,6]2N[5]O)(C[5]C[5,6]H)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<5>,1|C<4>,1|H<1>,2|C<3>}	119.3335	0.042	2	119.3335	0.002	2	119.2995	0.025	8	119.3524	0.924	38	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	5:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Ga[5,5]-5:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ga[5,5]C[5])(C[6a]C[6a]C)2	N[5](Ga[5,5]N[5,6]2N[5]S)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ga[5,5]C[5])(C[6a]C[6a]C)2{1|S<2>,2|C<3>,3|H<1>,3|N<3>}	N[5](Ga[5,5]N[5,6]2N[5]S)(C[5]C[5,6]H)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<5>,1|C<4>,1|H<1>,2|C<3>}	119.1920	0.099	4	119.1920	0.010	4	119.2995	0.025	8	119.3524	0.924	38	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	5:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Ge[3,3,5]-5:C[6a]-3:B[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ge[3,3,5]B[5])(C[6a]C[6a]C)2	N[5](Ge[3,3,5]B[3,3]Ge[5]N[3]2)(C[6a]C[6a]2)(B[5]N[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]Ge[3,3,5]B[5])(C[6a]C[6a]C)2{1|Ge<3>,1|B<4>,1|C<3>,2|H<1>,4|N<3>}	N[5](Ge[3,3,5]B[3,3]Ge[5]N[3]2)(C[6a]C[6a]2)(B[5]N[5]N){1|C<2>,1|N<3>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|Ge<5>,1|B<3>,1|C<3>,1|C<4>,1|H<1>}	120.1128	1.351	4	120.1128	1.826	4	120.1128	1.826	4	119.3524	0.924	38	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	5:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Ge[3,3,5]-5:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ge[3,3,5]C[5])(C[6a]C[6a]C)2	N[5](Ge[3,3,5]B[3,3]N[3]2N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ge[3,3,5]C[5])(C[6a]C[6a]C)2{1|B<4>,2|C<3>,3|H<1>,3|N<3>}	N[5](Ge[3,3,5]B[3,3]N[3]2N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ge<5>,1|C<4>,1|H<1>,2|C<3>}	119.3618	0.612	8	119.3618	0.374	8	119.3618	0.374	8	119.3524	0.924	38	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	5:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	In[5,5]-5:C[5,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]In[5,5]C[5,6])(C[6a]C[6a]C)2	N[5](In[5,5]N[5]O[5]2I)(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]In[5,5]C[5,6])(C[6a]C[6a]C)2{1|I<1>,1|N<3>,2|H<1>,2|O<2>,3|C<3>}	N[5](In[5,5]N[5]O[5]2I)(C[5,6]C[5,6]C[6])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|In<5>,1|C<4>,1|H<1>,2|C<3>}	118.8282	0.789	8	118.8282	0.623	8	118.8282	0.623	8	119.3524	0.924	38	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	5:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Nb[5]-5:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Nb[5]C[5])(C[6a]C[6a]C)2	N[5](Nb[5]C[5]N[6]NN)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Nb[5]C[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|H<1>,2|N<2>,3|C<3>}	N[5](Nb[5]C[5]N[6]NN)(C[6a]C[6a]2)(C[5]C[5]C){1|H<1>,3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Nb<5>,1|C<4>,1|H<1>,2|C<3>}	119.2625	0.681	2	119.2625	0.464	2	119.2625	0.464	2	119.3524	0.924	38	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	5:4:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	In[5,5]-5:P[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]In[5,5]P[5])(C[6a]C[6a]H)2	N[5](In[5,5]N[5,5,5a]N[5]Cl2)(P[5]C[5,5a]CC)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]In[5,5]P[5])(C[6a]C[6a]H)2{2|Cl<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	N[5](In[5,5]N[5,5,5a]N[5]Cl2)(P[5]C[5,5a]CC)(C[6a]C[6a]2){1|P<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|In<5>,1|C<3>,1|C<4>,1|H<1>,1|P<4>}	121.0563	0.728	8	121.0563	0.529	8	121.0563	0.529	8	121.0563	0.529	8	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	5:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	In[5,5]-5:P[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]In[5,5]P[5])(C[6a]C[6a]C)2	N[5](In[5,5]N[5,5,5a]N[5]Cl2)(P[5]C[5,5a]CC)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]In[5,5]P[5])(C[6a]C[6a]C)2{2|Cl<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	N[5](In[5,5]N[5,5,5a]N[5]Cl2)(P[5]C[5,5a]CC)(C[6a]C[6a]2){1|P<4>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|In<5>,1|C<3>,1|C<4>,1|H<1>,1|P<4>}	120.3137	0.247	4	120.3137	0.061	4	120.3137	0.061	4	119.9307	0.407	6	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	5:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Si[5]-5:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]C)2	N[5](Si[5]N[5,6]Cl3)(C[5]C[5,6]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]C)2{3|Cl<1>,1|N<3>,2|C<3>,4|H<1>}	N[5](Si[5]N[5,6]Cl3)(C[5]C[5,6]HH)(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Si<5>,1|C<3>,1|H<1>,2|C<4>}	119.1645	0.305	2	119.1645	0.093	2	119.1645	0.093	2	119.9307	0.407	6	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	6:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5x3,6x5,20x6]-6:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5x3,6x5,20x6]C[5,6a])(C[6a]C[6a]H)2	N[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5x3,6x5,20x6]C[5,6a])(C[6a]C[6a]H)2{1|C<6>,2|H<1>,3|C<3>,4|B<6>}	N[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){4|C<3>,5|B<6>,7|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<6>,2|C<3>,2|H<1>}	119.9235	0.401	2	119.9235	0.161	2	119.9235	0.161	2	119.9235	0.161	2	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	6:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	In[4,5,5]-6:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]In[4,5,5]C[5,6a])(C[6a]C[6a]C)2	N[5](In[4,5,5]N[5]O[5]2S[4]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]In[4,5,5]C[5,6a])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,2|O<2>,2|S<2>,3|C<3>}	N[5](In[4,5,5]N[5]O[5]2S[4]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|In<6>,1|C<4>,1|H<1>,2|C<3>}	119.4365	0.843	4	119.4365	0.710	4	119.4365	0.710	4	119.2683	1.541	42	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	6:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	In[5]-6:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]In[5]C[5])(C[6a]C[6a]C)2	N[5](In[5]N[5,6]O[5]Cl3)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]In[5]C[5])(C[6a]C[6a]C)2{3|Cl<1>,1|N<3>,1|O<3>,2|C<3>,3|H<1>}	N[5](In[5]N[5,6]O[5]Cl3)(C[5]C[5,6]H)(C[6a]C[6a]2){4|C<3>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|In<6>,1|C<4>,1|H<1>,2|C<3>}	118.5865	1.586	2	118.5865	2.516	2	118.5865	2.516	2	119.2683	1.541	42	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	6:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Nb[3,3,5]-6:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Nb[3,3,5]C[5])(C[6a]C[6a]C)2	N[5](Nb[3,3,5]Nb[3,3,5]C[5]O[3]2N)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Nb[3,3,5]C[5])(C[6a]C[6a]C)2{1|Nb<6>,1|C<4>,1|N<2>,2|H<1>,2|O<2>,3|C<3>}	N[5](Nb[3,3,5]Nb[3,3,5]C[5]O[3]2N)(C[6a]C[6a]2)(C[5]C[5]C){1|H<1>,1|N<2>,1|N<3>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Nb<6>,1|C<4>,1|H<1>,2|C<3>}	119.0425	1.329	2	119.0425	1.765	2	119.0425	1.765	2	119.2683	1.541	42	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	6:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Nb[3,5,5]-6:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Nb[3,5,5]C[5])(C[6a]C[6a]C)2	N[5](Nb[3,5,5]C[3,5]C[5]N[3]O[5]N)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Nb[3,5,5]C[5])(C[6a]C[6a]C)2{1|C<4>,1|C<5>,1|N<2>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N[5](Nb[3,5,5]C[3,5]C[5]N[3]O[5]N)(C[6a]C[6a]2)(C[5]C[5]C){2|H<1>,4|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Nb<6>,1|C<4>,1|H<1>,2|C<3>}	119.0787	0.134	4	119.0787	0.018	4	119.0787	0.018	4	119.2683	1.541	42	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	6:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Nb[5,5]-6:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Nb[5,5]C[5])(C[6a]C[6a]C)2	N[5](Nb[5,5]C[5,6a]2N[5]ClN)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Nb[5,5]C[5])(C[6a]C[6a]C)2{1|Cl<1>,1|C<4>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	N[5](Nb[5,5]C[5,6a]2N[5]ClN)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Nb<6>,1|C<4>,1|H<1>,2|C<3>}	119.4507	2.700	4	119.4507	7.293	4	119.4637	3.049	12	119.2683	1.541	42	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	6:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Nb[5,5]-6:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Nb[5,5]C[5])(C[6a]C[6a]C)2	N[5](Nb[5,5]C[5,6a]2N[5]ClN)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]Nb[5,5]C[5])(C[6a]C[6a]C)2{1|Cl<1>,1|C<4>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	N[5](Nb[5,5]C[5,6a]2N[5]ClN)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|Nb<6>,1|C<4>,1|H<1>,2|C<3>}	119.2645	1.671	4	119.2645	2.792	4	119.4637	3.049	12	119.2683	1.541	42	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	6:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Nb[5,5]-6:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Nb[5,5]C[5])(C[6a]C[6a]C)2	N[5](Nb[5,5]C[5,6a]2N[5]NO)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Nb[5,5]C[5])(C[6a]C[6a]C)2{1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	N[5](Nb[5,5]C[5,6a]2N[5]NO)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Nb<6>,1|C<4>,1|H<1>,2|C<3>}	119.6758	0.991	4	119.6758	0.982	4	119.4637	3.049	12	119.2683	1.541	42	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	6:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Nb[5]-6:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Nb[5]C[5])(C[6a]C[6a]C)2	N[5](Nb[5]N[5]Br4)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Nb[5]C[5])(C[6a]C[6a]C)2{4|Br<1>,1|N<3>,2|C<3>,3|H<1>}	N[5](Nb[5]N[5]Br4)(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Nb<6>,1|C<4>,1|H<1>,2|C<3>}	119.8890	1.696	4	119.8890	2.876	4	119.2437	1.259	18	119.2683	1.541	42	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	6:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Nb[5]-6:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Nb[5]C[5])(C[6a]C[6a]C)2	N[5](Nb[5]N[5]Cl4)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Nb[5]C[5])(C[6a]C[6a]C)2{4|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](Nb[5]N[5]Cl4)(C[6a]C[6a]2)(C[5]C[5]C){3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Nb<6>,1|C<4>,1|H<1>,2|C<3>}	118.9977	0.448	4	118.9977	0.201	4	119.2437	1.259	18	119.2683	1.541	42	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	6:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Nb[5]-6:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Nb[5]C[5])(C[6a]C[6a]C)2	N[5](Nb[5]N[5]Cl4)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Nb[5]C[5])(C[6a]C[6a]C)2{4|Cl<1>,1|N<3>,2|C<3>,3|H<1>}	N[5](Nb[5]N[5]Cl4)(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Nb<6>,1|C<4>,1|H<1>,2|C<3>}	119.0840	1.055	10	119.0840	1.112	10	119.2437	1.259	18	119.2683	1.541	42	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	6:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	Si[5,6,6]-6:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]Si[5,6,6]C[5])(C[6a]C[6a]H)2	N[5](Si[5,6,6]N[5]N[6]2O[6]2)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]Si[5,6,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|O<2>,3|N<3>,4|H<1>}	N[5](Si[5,6,6]N[5]N[6]2O[6]2)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Si<6>,1|C<3>,1|C<4>,2|H<1>}	121.8470	0.851	8	121.8470	0.724	8	121.8470	0.724	8	121.8470	0.724	8	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP2	C[6a]	N[5]	C[6a]	3:3:3:	7:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Nb[3,5,5]-7:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Nb[3,5,5]C[5])(C[6a]C[6a]C)2	N[5](Nb[3,5,5]C[5,6a]2C[3]H[3]N[5]N)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Nb[3,5,5]C[5])(C[6a]C[6a]C)2{1|H<2>,1|N<2>,1|N<3>,2|C<4>,2|H<1>,4|C<3>}	N[5](Nb[3,5,5]C[5,6a]2C[3]H[3]N[5]N)(C[5]C[5,6a]C)(C[6a]C[6a]2){1|Si<4>,1|H<1>,2|C<4>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Nb<7>,1|C<4>,1|H<1>,2|C<3>}	119.7857	2.499	4	119.7857	6.247	4	119.7857	6.247	4	119.7857	6.247	4	119.2293	2.211	15980	119.2503	2.266	16279
643	542	643	0:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6a,6a]	3:3:3:	3:4:2:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[6a,6a](C[6,6a]C[6,6a]N[5,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5]){2|C<4>,4|C<3>,5|H<1>}	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[5,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	116.2053	0.263	3	116.2053	0.069	3	116.7054	0.348	7	116.7054	0.348	7	117.3519	3.641	8	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6a,6a]	3:3:3:	3:4:2:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	C[6a,6a](C[6,6a]C[6,6a]N[5,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5]){2|C<4>,4|C<3>,5|H<1>}	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){1|C<4>,3|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[5,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	117.2263	0.436	3	117.0805	0.212	4	116.7054	0.348	7	116.7054	0.348	7	117.3519	3.641	8	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6a,6a]	3:3:3:	3:4:2:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	C[6a,6a](C[6,6a]C[6,6a]N[5,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5]){2|C<4>,4|C<3>,5|H<1>}	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){1|C<4>,3|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[5,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	116.6430	0.000	1	117.0805	0.212	4	116.7054	0.348	7	116.7054	0.348	7	117.3519	3.641	8	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6a,6a]	3:3:3:	3:4:4:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,5]C[6]H)(C[5]C[5]CH)	C[6a,6a](C[6,6a]C[6,6a]N[5,6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5]){2|C<4>,4|H<1>,5|C<3>}	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,5]C[6]H)(C[5]C[5]CH){1|N<2>,2|H<1>,6|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[5,6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|C<4>,3|C<3>,3|H<1>}	121.8770	0.000	1	121.8770	0.000	1	121.8770	0.000	1	121.8770	0.000	1	117.3519	3.641	8	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:2:4:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>}	118.2550	0.000	1	117.5480	0.236	5	117.6645	0.270	6	117.6645	0.270	6	118.9864	5.133	57	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:2:4:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|O<2>,2|C<4>}	117.3300	0.000	1	117.5480	0.236	5	117.6645	0.270	6	117.6645	0.270	6	118.9864	5.133	57	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:2:4:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	117.7780	0.000	1	117.5480	0.236	5	117.6645	0.270	6	117.6645	0.270	6	118.9864	5.133	57	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:2:4:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>}	117.1885	0.289	2	117.5480	0.236	5	117.6645	0.270	6	117.6645	0.270	6	118.9864	5.133	57	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:2:4:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HO)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HO){3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	118.2470	0.000	1	118.2470	0.000	1	117.6645	0.270	6	117.6645	0.270	6	118.9864	5.133	57	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:2:4:	3:3:4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[5]-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]C)	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]Cl)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]C){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]Cl)(CH3){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	117.1230	0.276	3	117.1230	0.076	3	117.1230	0.076	3	117.1230	0.076	3	118.9864	5.133	57	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](N[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H){1|C<4>,5|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	119.7090	0.000	1	119.7090	0.000	1	119.7090	0.000	1	119.7090	0.000	1	118.9864	5.133	57	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:2:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|O<2>,2|C<4>}	116.9580	0.000	1	117.2715	0.061	8	117.4812	0.396	25	117.4812	0.396	25	118.9864	5.133	57	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:2:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	117.4560	0.000	1	117.2715	0.061	8	117.4812	0.396	25	117.4812	0.396	25	118.9864	5.133	57	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:2:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|O<2>}	117.1770	0.000	1	117.2715	0.061	8	117.4812	0.396	25	117.4812	0.396	25	118.9864	5.133	57	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:2:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>}	117.3170	0.000	1	117.2715	0.061	8	117.4812	0.396	25	117.4812	0.396	25	118.9864	5.133	57	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:2:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|O<2>,2|C<4>}	116.8700	0.000	1	117.2715	0.061	8	117.4812	0.396	25	117.4812	0.396	25	118.9864	5.133	57	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:2:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|O<2>}	117.4225	0.008	2	117.2715	0.061	8	117.4812	0.396	25	117.4812	0.396	25	118.9864	5.133	57	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:2:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>}	117.5490	0.000	1	117.2715	0.061	8	117.4812	0.396	25	117.4812	0.396	25	118.9864	5.133	57	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:2:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	117.6030	0.000	1	117.6030	0.000	1	117.4812	0.396	25	117.4812	0.396	25	118.9864	5.133	57	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:2:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>}	117.2690	0.000	1	117.5784	0.571	16	117.4812	0.396	25	117.4812	0.396	25	118.9864	5.133	57	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:2:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	117.6336	0.922	10	117.5784	0.571	16	117.4812	0.396	25	117.4812	0.396	25	118.9864	5.133	57	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:2:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,3|C<4>}	117.7150	0.000	1	117.5784	0.571	16	117.4812	0.396	25	117.4812	0.396	25	118.9864	5.133	57	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:2:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|O<2>}	118.0610	0.000	1	117.5784	0.571	16	117.4812	0.396	25	117.4812	0.396	25	118.9864	5.133	57	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:2:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>}	117.2910	0.379	3	117.5784	0.571	16	117.4812	0.396	25	117.4812	0.396	25	118.9864	5.133	57	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:2:	3:3:4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]C)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]C)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]C){2|C<3>,3|C<4>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	117.4610	0.000	1	117.4610	0.000	1	117.1080	0.094	3	117.1080	0.094	3	118.9864	5.133	57	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:2:	3:3:4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]C)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]Cl)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]C){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]Cl)(CH3){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	116.9080	0.000	1	116.9080	0.000	1	117.1080	0.094	3	117.1080	0.094	3	118.9864	5.133	57	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:2:	3:3:4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]C)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]C){2|C<3>,3|C<4>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	116.9550	0.000	1	116.9550	0.000	1	117.1080	0.094	3	117.1080	0.094	3	118.9864	5.133	57	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]N[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(N[5]C[5,5]C)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]N[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(N[5]C[5,5]C){4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.4320	0.000	1	121.4320	0.000	1	121.7055	0.150	2	121.7055	0.150	2	118.9864	5.133	57	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]N[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]N[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C){4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.9790	0.000	1	121.9790	0.000	1	121.7055	0.150	2	121.7055	0.150	2	118.9864	5.133	57	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]C)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]C)(C[5]C[5]O)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]C){1|C<3>,1|O<2>,2|H<1>,2|O<1>,3|C<4>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]C)(C[5]C[5]O){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	122.7030	0.000	1	122.7030	0.000	1	122.7030	0.000	1	122.7030	0.000	1	118.9864	5.133	57	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[6a](C[6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	N[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	124.6280	0.000	1	124.6280	0.000	1	124.6280	0.000	1	122.3939	1.968	9	118.9864	5.133	57	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]CC)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|C<4>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]CC){2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,3|C<4>}	122.2290	0.000	2	122.2290	0.000	2	122.1146	1.446	8	122.3939	1.968	9	118.9864	5.133	57	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	120.6050	0.000	2	120.6050	0.000	2	122.1146	1.446	8	122.3939	1.968	9	118.9864	5.133	57	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[5]HH)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[5]HH){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	122.5150	0.000	1	122.5150	0.000	1	122.1146	1.446	8	122.3939	1.968	9	118.9864	5.133	57	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]O[6]H)(C[5]C[5]CH)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]O[6]H)(C[5]C[5]CH){1|S<2>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	121.7530	0.000	1	121.7530	0.000	1	122.1146	1.446	8	122.3939	1.968	9	118.9864	5.133	57	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH){1|N<3>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	123.4905	1.210	2	123.4905	1.464	2	122.1146	1.446	8	122.3939	1.968	9	118.9864	5.133	57	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[4,5,6,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[5,6]C[4,5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[4,5,6,6]C[4,6]C[6,6]N[4,5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](N[5,6]C[4,5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	N[5,6](C[4,5,6,6]C[4,6]C[6,6]N[4,5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	121.0890	0.000	1	121.0890	0.000	1	121.0890	0.000	1	121.4350	0.100	5	118.9864	5.133	57	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[5,6]C[5,5,6]C[5,6a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](N[5,6]C[5,5,6]C[5,6a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	N[5,6](C[5,5,6]C[5,6]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|N<3>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	121.4350	0.288	2	121.4350	0.083	2	121.4350	0.083	2	121.4350	0.100	5	118.9864	5.133	57	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|O<1>,3|H<1>}	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	121.8690	0.000	1	121.8690	0.000	1	121.8690	0.000	1	121.4350	0.100	5	118.9864	5.133	57	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[5,6]C[5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](N[5,6]C[5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	121.3470	0.000	1	121.3470	0.000	1	121.3470	0.000	1	121.4350	0.100	5	118.9864	5.133	57	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[6,6,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(N[5,6]C[5,6,6]C[5])(C[6a]C[6a]H)	N[5,6](C[5,6,6]O[6,6]C[5]C[6])(C[6,6a]C[6,6,6a]C[6a])(C[5]C[5]HH)	C[6a](C[6,6a]C[6,6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(N[5,6]C[5,6,6]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	N[5,6](C[5,6,6]O[6,6]C[5]C[6])(C[6,6a]C[6,6,6a]C[6a])(C[5]C[5]HH){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	120.6400	0.000	1	120.6400	0.000	1	120.6400	0.000	1	120.9855	0.239	2	118.9864	5.133	57	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH){3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	121.3310	0.000	1	121.3310	0.000	1	121.3310	0.000	1	120.9855	0.239	2	118.9864	5.133	57	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5,5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	N[5,5]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5,5]C[5,5,6]2)(C[6a]C[6a]H)2	N[5,5](C[5,5,6]C[5,6]N[5,6]H)2(C[6a]C[6a]2)	C[6a](C[6a]N[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](N[5,5]C[5,5,6]2)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|N<3>,4|H<1>}	N[5,5](C[5,5,6]C[5,6]N[5,6]H)2(C[6a]C[6a]2){2|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]N[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.3718	2.873	4	120.3718	8.257	4	121.1632	3.041	13	120.9418	4.630	17	120.9418	4.630	17	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5,5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	N[5,5]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5,5]C[5,5,6]2)(C[6a]C[6a]H)2	N[5,5](C[5,5,6]C[5,6]S[5,6]H)2(C[6a]C[6a]2)	C[6a](C[6a]N[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](N[5,5]C[5,5,6]2)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|S<2>,4|H<1>}	N[5,5](C[5,5,6]C[5,6]S[5,6]H)2(C[6a]C[6a]2){2|C<3>,6|H<1>}	C[6a](C[6a]N[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	121.5149	1.007	9	121.5149	1.013	9	121.1632	3.041	13	120.9418	4.630	17	120.9418	4.630	17	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5,5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	N[5,5]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:P[5,5,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5,5]C[5,5,6]P[5,5,6])(C[6a]C[6a]H)2	N[5,5](C[5,5,6]C[5,5,6]C[5,6]C[6a])(P[5,5,6]C[5,5,6]C[5,6]W)(C[6a]C[6a]2)	C[6a](C[6a]N[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](N[5,5]C[5,5,6]P[5,5,6])(C[6a]C[6a]H)2{1|W<6>,2|C<3>,2|H<1>,4|C<4>}	N[5,5](C[5,5,6]C[5,5,6]C[5,6]C[6a])(P[5,5,6]C[5,5,6]C[5,6]W)(C[6a]C[6a]2){6|C<3>,8|H<1>}	C[6a](C[6a]N[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	120.2225	3.410	4	120.2225	11.628	4	120.2225	11.628	4	120.9418	4.630	17	120.9418	4.630	17	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5,6]	C[6a]	3:3:3:	4:4:3:	3:3:1:	N[5,6]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]F)(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)	C[6a](C[6a]N[5,6]C[6a])(C[6a]C[6a]H)(F)	C[6a](N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,3|C<4>,5|H<1>}	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2){1|F<1>,1|N<3>,2|C<3>,6|H<1>}	C[6a](C[6a]N[5,6]C[6a])(C[6a]C[6a]H)(F){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	124.7340	0.000	1	124.7340	0.000	1	124.7340	0.000	1	121.0776	1.684	14	121.0776	1.684	14	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5,6]	C[6a]	3:3:3:	4:4:3:	3:3:1:	N[5,6]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]F)(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2)	C[6a](C[6a]N[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,3|C<4>,5|H<1>}	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2){1|F<1>,1|N<3>,2|C<3>,6|H<1>}	C[6a](C[6a]N[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|F<1>}	120.5800	0.000	1	120.5800	0.000	1	120.7297	0.648	9	121.0776	1.684	14	121.0776	1.684	14	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5,6]	C[6a]	3:3:3:	4:4:3:	3:3:1:	N[5,6]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HN)(C[6a]C[6a]2)	C[6a](C[6a]N[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|N<3>,4|H<1>}	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HN)(C[6a]C[6a]2){2|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]N[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.7484	0.859	8	120.7484	0.737	8	120.7297	0.648	9	121.0776	1.684	14	121.0776	1.684	14	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5,6]	C[6a]	3:3:3:	4:4:3:	3:3:1:	N[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5,6]C[5,6]2)(C[6a]C[6a]H)2	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)	C[6a](C[6a]N[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](N[5,6]C[5,6]2)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2){1|O<1>,4|H<1>,6|C<3>}	C[6a](C[6a]N[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.8190	0.655	2	120.8190	0.429	2	120.9465	0.725	4	121.0776	1.684	14	121.0776	1.684	14	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5,6]	C[6a]	3:3:3:	4:4:3:	3:3:1:	N[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5,6]C[5,6]2)(C[6a]C[6a]H)2	N[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)	C[6a](C[6a]N[5,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](N[5,6]C[5,6]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6a](C[6a]N[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.0740	1.297	2	121.0740	1.682	2	120.9465	0.725	4	121.0776	1.684	14	121.0776	1.684	14	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a,6a]	3:2:3:	3:4:4:	3:3:3:	C[6a,6a]-3:N[6a]-2:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(N[6a]C[6a])(N[5]C[5]2)	N[5](C[6a]C[6a,6a]N[6a])(C[5]C[5]HH)2	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]N[6a]2)(C[6a]N[6a]N[5])	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(N[6a]C[6a])(N[5]C[5]2){2|C<3>,2|C<4>,2|N<2>,5|H<1>}	N[5](C[6a]C[6a,6a]N[6a])(C[5]C[5]HH)2{1|N<3>,2|C<3>,4|H<1>}	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]N[6a]2)(C[6a]N[6a]N[5]){1|H<1>,2|C<4>,4|C<3>}	124.8330	0.000	1	124.8330	0.000	1	124.8330	0.000	1	124.8330	0.000	1	119.1807	4.631	12	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5])(C[5]C[5]HH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5])(C[5]C[5]HH){2|N<3>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	117.9495	0.515	2	117.9495	0.266	2	117.9495	0.266	2	118.1593	0.265	3	119.1807	4.631	12	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(C[6a]C[6,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(C[6a]C[6,6a]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH){4|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	118.5790	0.000	1	118.5790	0.000	1	118.5790	0.000	1	118.1593	0.265	3	119.1807	4.631	12	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:4:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(N[5]C[5]2)	N[5](C[6a]C[6a,6a]2)(C[5]C[5]HH)(C[5]N[5]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(N[5]C[5]2){1|C<4>,1|N<2>,2|N<3>,4|C<3>,4|H<1>}	N[5](C[6a]C[6a,6a]2)(C[5]C[5]HH)(C[5]N[5]N){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	119.5950	0.052	2	119.5950	0.003	2	119.5950	0.003	2	118.3988	2.697	5	119.1807	4.631	12	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:4:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5,6]-4:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(N[5]C[5,6]C[5])	N[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]N[5]Ir)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(N[5]C[5,6]C[5]){1|Ir<6>,1|N<3>,3|C<3>,4|C<4>,4|H<1>}	N[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]N[5]Ir){3|C<4>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	116.6250	0.000	1	116.6250	0.000	1	116.6250	0.000	1	118.3988	2.697	5	119.1807	4.631	12	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:4:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]Pd)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[5]C[5]2){1|Pd<5>,1|C<4>,1|N<3>,3|H<1>,4|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]Pd){1|C<4>,1|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	116.5750	0.000	1	116.5750	0.000	1	118.0895	4.587	2	118.3988	2.697	5	119.1807	4.631	12	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:4:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(N[5]C[5]2){1|N<3>,3|C<3>,3|C<4>,5|H<1>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]H){1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	119.6040	0.000	1	119.6040	0.000	1	118.0895	4.587	2	118.3988	2.697	5	119.1807	4.631	12	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a,6a]	3:3:3:	3:4:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]CH)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|N<2>,3|C<3>,3|H<1>,4|C<4>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]CH)2{3|C<3>,5|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]N){2|C<3>,2|C<4>,4|H<1>}	119.7850	0.000	1	119.7850	0.000	1	119.7850	0.000	1	119.7850	0.000	1	119.1807	4.631	12	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a,6a]	3:3:3:	4:3:3:	3:3:3:	C[6a,6a]-3:N[5]-3:C[6a]-3:	Se[5,5]-4:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5]Se[5,5]C[5])(C[6a]C[6a]H)	N[5](Se[5,5]C[5,6a]2N[5])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5]Se[5,5]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	N[5](Se[5,5]C[5,6a]2N[5])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O){1|H<1>,9|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]N[5])(C[6a]C[6a]H){1|Se<4>,3|C<3>,4|H<1>}	119.5390	0.931	2	119.5390	0.866	2	119.5390	0.866	2	119.5390	0.866	2	119.1807	4.631	12	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	2:3:3:	3:4:2:	3:3:1:	N[6a]-2:N[5]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(N[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[5])(H)	C[6a](N[6a]C[6a,6a])(N[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5]O)(N[5]C[5]){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[5])(H){1|C<4>,1|N<2>,2|C<3>}	120.3210	0.000	1	120.3210	0.000	1	120.3210	0.000	1	120.3210	0.000	1	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:2:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:N[6a]-2:	C[5,6a]-3:P[5,5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]P[5,5])(C[6a]C[6a]H)(N[6a]C[6a])	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5])(C[6a]C[6a]N[6a])	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]P[5,5])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,2|N<3>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(P[5,5]N[5,5]N[5])(C[6a]C[6a]N[6a]){2|H<1>,7|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,2|C<3>}	127.9380	0.000	1	127.9380	0.000	1	127.9380	0.000	1	127.9380	0.000	1	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:2:	3:3:4:	3:3:1:	N[5]-3:C[6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]HH)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]HH){3|H<1>,5|C<3>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	120.3210	0.000	1	120.3210	0.000	1	120.3210	0.000	1	120.3210	0.000	1	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:2:	3:4:2:	3:3:1:	C[6a]-3:N[5]-3:N[6a]-2:	C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(N[6a]C[6a])	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5])	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]){1|Br<1>,1|Cl<1>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	122.6910	0.000	1	122.6910	0.000	1	122.6910	0.000	1	122.6910	0.000	1	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:2:	3:4:3:	3:3:1:	C[6a]-3:N[5]-3:N[6a]-2:	C[6a]-3:C[5]-4:N[5]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(N[6a]C[6a])	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H)	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(N[5]C[5]N[5])(N[6a]C[6a]){1|C<4>,3|C<3>,4|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	118.7320	0.000	1	118.7320	0.000	1	118.7320	0.000	1	118.7320	0.000	1	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)2(N[5]C[5]N[5])	N[5](C[5]N[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5,6])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)2(N[5]C[5]N[5]){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]N[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5,6]){2|Br<1>,1|N<3>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Br){2|Br<1>,1|N<2>,2|C<3>}	120.7105	0.525	2	120.7105	0.276	2	120.7105	0.276	2	120.0764	0.429	8	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]N[5]2)	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	120.0790	1.014	2	120.0790	1.028	2	120.0790	1.028	2	120.0764	0.429	8	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C)(C[6a]C[6a]2)(O[5]C[5,5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,5]C)(C[6a]C[6a]2)(O[5]C[5,5]){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	119.7580	0.404	4	119.7580	0.163	4	119.7580	0.163	4	120.0764	0.429	8	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:2:	3:3:3:	N[5]-3:C[6a]-3:C[6a]-3:	P[3,5]-3:C[6a]-3:P[5]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[5]P[3,5]P[5])(C[6a]C[6a]2)2	N[5](P[3,5]P[3,5]N[3])(C[6a]C[6a]2)(P[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](N[5]P[3,5]P[5])(C[6a]C[6a]2)2{1|N<3>,1|P<3>,2|H<1>,6|C<3>}	N[5](P[3,5]P[3,5]N[3])(C[6a]C[6a]2)(P[5]C[5]){1|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|P<2>,1|P<3>,2|C<4>,4|C<3>}	119.9160	0.556	2	119.9160	0.309	2	119.9160	0.309	2	119.9160	0.309	2	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]C){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.5445	0.576	2	119.5445	0.332	2	119.5445	0.332	2	119.7366	1.387	39	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<1>,2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.8970	0.519	2	119.8970	0.269	2	119.8970	0.269	2	119.7366	1.387	39	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)2(N[5]C[5]N[5])	N[5](C[6a]C[6a]2)(C[5]S[5]N)(N[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(N[5]C[5]N[5]){1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]S[5]N)(N[5]C[5]C){2|Cl<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl){2|Cl<1>,1|N<3>,2|C<3>}	120.5445	0.395	2	120.5445	0.156	2	120.5445	0.156	2	119.7366	1.387	39	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]C[6a])(N[5]C[5,6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6,6a]H)(H)	C[6a](C[6a]C[6,6a]C[6a])(N[5]C[5,6a]C[5])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,1|H<1>,1|N<3>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6,6a]H)(H){1|C<4>,4|C<3>}	118.6610	0.000	1	118.6610	0.000	1	118.6610	0.000	1	119.7366	1.387	39	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	B[5]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]B[5]N[5])(C[6a]C[6a]H)2	N[5](B[5]C[6a]C[5])(N[5]C[6a]B[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]B[5]N[5])(C[6a]C[6a]H)2{1|B<3>,2|H<1>,4|C<3>}	N[5](B[5]C[6a]C[5])(N[5]C[6a]B[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|N<3>,2|H<1>}	120.5970	2.370	4	120.5970	5.617	4	120.5970	5.617	4	119.7366	1.387	39	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Ir<6>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.2870	0.270	2	119.2870	0.073	2	119.2870	0.073	2	119.7366	1.387	39	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	119.7060	0.308	4	119.7060	0.095	4	119.7060	0.095	4	119.7366	1.387	39	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,5]O)(C[6a]C[6a]2)(N[5]C[5]C){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.7725	1.886	2	119.7725	3.556	2	119.7725	3.556	2	119.7366	1.387	39	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.1870	2.273	2	119.2945	3.830	4	119.3582	2.654	6	119.7366	1.387	39	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.4020	2.506	2	119.2945	3.830	4	119.3582	2.654	6	119.7366	1.387	39	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.4855	1.316	2	119.4855	1.732	2	119.3582	2.654	6	119.7366	1.387	39	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:B[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]B[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]B[5])(C[6a]C[6a]2)(B[5]C[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]B[5]N[5])(C[6a]C[6a]H)2{1|B<3>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[6a]B[5])(C[6a]C[6a]2)(B[5]C[5]N){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|N<3>,2|H<1>}	120.8882	0.871	4	120.8882	0.758	4	120.8882	0.758	4	119.7366	1.387	39	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]N){1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.0665	0.264	4	119.0665	0.070	4	119.2062	0.078	10	119.7366	1.387	39	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|Fe<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.3005	0.301	4	119.2993	0.073	6	119.2062	0.078	10	119.7366	1.387	39	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	N[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|Fe<5>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.2970	0.304	2	119.2993	0.073	6	119.2062	0.078	10	119.7366	1.387	39	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[4,5]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[4,5]O)2(C[6a]C[6a]2){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	114.1412	0.488	4	114.1412	0.239	4	114.1412	0.239	4	114.1412	0.239	4	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(COO)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(COO){1|C<4>,1|H<1>,3|C<3>}	118.8410	0.000	1	118.8410	0.000	1	118.8410	0.000	1	118.4645	0.284	2	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]C[6a])(N[5]C[5,6a]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]N[5])	C[6a](C[6a]C[6,6a]C[6a])(N[5]C[5,6a]C[5])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,1|H<1>,1|N<3>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]N[5]){1|N<3>,3|C<4>,3|H<1>,5|C<3>}	118.0880	0.000	1	118.0880	0.000	1	118.0880	0.000	1	118.4645	0.284	2	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[4,5]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[4,5]O)2(C[6a]C[6a]2){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,1|O<2>,3|C<3>}	123.7376	0.542	5	123.7376	0.293	5	121.7205	12.090	8	119.7985	3.698	39	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[4,5]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[4,5]O)2(C[6a]C[6a]2){1|H<1>,2|C<3>,5|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH){1|C<4>,1|H<1>,3|C<3>}	114.1070	0.000	1	114.1070	0.000	1	121.7205	12.090	8	119.7985	3.698	39	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[4,5]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](C[5]C[4,5]O)2(C[6a]C[6a]2){1|H<1>,2|C<3>,5|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	121.5080	0.000	1	121.5080	0.000	1	121.7205	12.090	8	119.7985	3.698	39	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	119.4610	0.000	1	119.4610	0.000	1	121.7205	12.090	8	119.7985	3.698	39	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,2|C<4>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.5547	0.425	4	118.5547	0.181	4	119.0691	0.424	17	119.7985	3.698	39	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,3|C<3>,3|H<1>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	119.2273	0.636	13	119.2273	0.405	13	119.0691	0.424	17	119.7985	3.698	39	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	118.8955	1.408	2	118.8955	1.982	2	118.8955	1.982	2	119.7985	3.698	39	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:P[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[5]C[5,6]H)(C[6a]C[6a]2)(P[5]N[5,6]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{2|C<3>,2|N<3>,3|H<1>}	N[5](C[5]C[5,6]H)(C[6a]C[6a]2)(P[5]N[5,6]N){2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	119.3355	0.537	2	119.3355	0.288	2	119.3355	0.288	2	119.7985	3.698	39	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:P[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]H)(P[5]N[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]C)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]H)(P[5]N[5]O){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	119.2760	0.457	2	119.2760	0.209	2	119.2760	0.209	2	119.7985	3.698	39	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Ga[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(Ga[5]N[5]Sn)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2{1|Sn<3>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(Ga[5]N[5]Sn)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<3>,1|C<4>,1|H<1>,2|C<3>}	119.7395	1.084	2	119.7395	1.175	2	119.7395	1.175	2	119.7985	3.698	39	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Ga[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2	N[5](Ga[5]Ga[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2{1|Ga<3>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](Ga[5]Ga[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C){2|N<3>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<3>,1|C<4>,1|H<1>,2|C<3>}	120.5610	0.164	2	120.5610	0.027	2	120.5610	0.027	2	119.7985	3.698	39	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	P[5,5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]P[5,5]C[5])(C[6a]C[6a]C)2	N[5](P[5,5]P[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]P[5,5]C[5])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|P<3>,2|C<3>,2|H<1>}	N[5](P[5,5]P[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	120.0505	0.233	2	120.0505	0.054	2	120.0505	0.054	2	119.7985	3.698	39	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	P[5,6]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]P[5,6]C[5])(C[6a]C[6a]C)2	N[5](P[5,6]P[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]P[5,6]C[5])(C[6a]C[6a]C)2{1|C<4>,1|P<3>,2|H<1>,3|C<3>}	N[5](P[5,6]P[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	119.2445	1.508	2	119.2445	2.275	2	119.2445	2.275	2	119.7985	3.698	39	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5])(C[5]C[5]HH)	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5])(C[5]C[5]HH){2|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	122.1590	0.375	2	122.1590	0.140	2	122.1590	0.140	2	120.4298	3.116	17	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(C[6a]C[6,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]N[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(C[6a]C[6,6a]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]HH){4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]N[5])(H){1|N<2>,2|C<4>,3|C<3>}	121.1220	0.000	1	121.1220	0.000	1	121.1220	0.000	1	120.4298	3.116	17	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]F)(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]F)(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|Ru<8>,1|F<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F){1|Ru<8>,1|C<4>,1|H<1>,2|C<3>}	116.2510	0.000	1	116.2510	0.000	1	116.2510	0.000	1	120.4298	3.116	17	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.7815	1.385	2	120.7815	1.919	2	120.4222	2.344	12	120.4298	3.116	17	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.3425	1.674	2	120.3503	2.617	10	120.4222	2.344	12	120.4298	3.116	17	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.4805	2.492	4	120.3503	2.617	10	120.4222	2.344	12	120.4298	3.116	17	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|Pd<4>,1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	120.2630	1.325	2	120.3503	2.617	10	120.4222	2.344	12	120.4298	3.116	17	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|Pt<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	120.1850	0.479	2	120.3503	2.617	10	120.4222	2.344	12	120.4298	3.116	17	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	120.5490	0.000	1	120.5490	0.000	1	120.5490	0.000	1	120.4298	3.116	17	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:N-2:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC){1|C<4>,1|H<1>,3|C<3>}	121.2460	0.000	1	121.2460	0.000	1	121.2460	0.000	1	121.2460	0.000	1	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:P-3:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]P)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]P){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|P<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,2|C<3>,2|C<4>}	117.1180	0.000	1	117.1180	0.000	1	117.1180	0.000	1	117.1180	0.000	1	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[4]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[5]C[4]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,2|P<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	119.3475	1.587	2	119.3475	2.520	2	119.3892	1.477	6	120.0129	2.548	11	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[5]C[6]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	119.5460	2.039	2	119.5460	4.159	2	119.3892	1.477	6	120.0129	2.548	11	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]B[5]CH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<3>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]B[5]CH){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	119.2740	0.791	2	119.2740	0.625	2	119.3892	1.477	6	120.0129	2.548	11	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]P)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CF3)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]P){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|P<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CF3){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	122.1860	0.000	1	122.1860	0.000	1	122.0613	0.104	3	120.0129	2.548	11	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]P)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]P){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|P<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	122.3030	0.000	1	122.3030	0.000	1	122.0613	0.104	3	120.0129	2.548	11	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]P)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHO)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]P){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|P<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHHO){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	121.6950	0.000	1	121.6950	0.000	1	122.0613	0.104	3	120.0129	2.548	11	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:3:4:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:P-4:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]P)	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Pd)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]P){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|P<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Pd){1|H<1>,2|C<3>,2|C<4>}	118.8115	0.288	2	118.8115	0.083	2	118.8115	0.083	2	120.0129	2.548	11	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.6520	3.298	2	120.5998	3.883	4	120.5107	3.057	6	120.1907	4.551	20	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	120.5475	0.872	2	120.5998	3.883	4	120.5107	3.057	6	120.1907	4.551	20	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.3325	1.882	2	120.3325	3.540	2	120.5107	3.057	6	120.1907	4.551	20	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(O[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(O[5]C[5]){1|C<4>,1|N<3>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	119.7595	2.487	2	119.7595	6.185	2	120.0535	5.408	14	120.1907	4.551	20	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5,6])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5,6]){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.3285	2.526	2	120.3285	6.383	2	120.0535	5.408	14	120.1907	4.551	20	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5]){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	119.9977	1.728	4	120.0404	8.174	8	120.0535	5.408	14	120.1907	4.551	20	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5]){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.0830	4.010	4	120.0404	8.174	8	120.0535	5.408	14	120.1907	4.551	20	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5]){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.1250	0.426	2	120.1250	0.181	2	120.0535	5.408	14	120.1907	4.551	20	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F)	C[6a](C[6a]C[6a]F)2(N[5]C[5]2){1|Ru<5>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru){2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	121.6490	0.793	2	121.6490	0.629	2	121.6490	0.629	2	120.6145	2.456	20	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]O){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.6680	0.000	1	120.6680	0.000	1	120.3574	0.912	5	120.6145	2.456	20	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]N[5]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.0685	1.339	2	120.0685	1.792	2	120.3574	0.912	5	120.6145	2.456	20	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]C){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	120.4910	1.247	2	120.4910	1.556	2	120.3574	0.912	5	120.6145	2.456	20	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.3050	0.923	2	120.3050	0.853	2	120.3050	0.853	2	120.6145	2.456	20	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	119.9135	5.296	2	119.9135	28.043	2	119.9135	28.043	2	120.6145	2.456	20	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:P[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Co)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Co<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Co){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|P<3>,1|P<4>}	120.1010	0.635	2	119.9100	0.217	4	120.7520	1.211	9	120.6145	2.456	20	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:P[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Co)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Co<5>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Co){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|P<3>,1|P<4>}	119.7190	0.320	2	119.9100	0.217	4	120.7520	1.211	9	120.6145	2.456	20	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:P[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Ni)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Ni<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Ni){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|P<3>,1|P<4>}	122.0420	0.000	1	122.0420	0.000	1	120.7520	1.211	9	120.6145	2.456	20	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:P[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Pt)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Pt<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Pt){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|P<3>,1|P<4>}	121.8150	0.451	2	121.8150	0.204	2	120.7520	1.211	9	120.6145	2.456	20	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:P[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Cl)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Cl){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|P<3>}	120.7280	1.438	2	120.7280	2.069	2	120.7520	1.211	9	120.6145	2.456	20	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Pd){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|Pd<4>,1|C<4>,1|O<2>,2|C<3>}	122.1460	0.000	1	122.1460	0.000	1	122.1460	0.000	1	122.1460	0.000	1	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]H)	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(N[6]C[6]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(N[5]C[5]2){1|N<3>,3|C<3>,3|C<4>,5|H<1>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(N[6]C[6]2){3|C<3>,3|C<4>,5|H<1>}	118.0000	0.000	1	118.0000	0.000	1	118.0000	0.000	1	118.3195	0.204	2	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]O){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCO){1|C<4>,2|C<3>,2|H<1>}	118.6390	0.000	1	118.6390	0.000	1	118.6390	0.000	1	118.3195	0.204	2	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5,6]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(N[5]C[5,6]C[5])	N[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]N[5]Ir)	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(N[5]C[5,6]C[5]){1|Ir<6>,1|N<3>,3|C<3>,4|C<4>,4|H<1>}	N[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]N[5]Ir){3|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[6]C[6]2H){3|C<3>,3|C<4>,5|H<1>}	121.1250	0.000	1	121.1250	0.000	1	121.1250	0.000	1	119.7693	1.587	62	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]Pd)	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(N[5]C[5]2){1|Pd<5>,1|C<4>,1|N<3>,3|H<1>,4|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]Pd){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	120.7300	0.000	1	120.7300	0.000	1	120.7300	0.000	1	119.7693	1.587	62	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){2|C<3>,2|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]2){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	120.0860	0.484	2	120.0860	0.234	2	119.6870	1.453	42	119.7693	1.587	62	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<3>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]B){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	120.8264	1.434	8	120.8264	2.056	8	119.6870	1.453	42	119.7693	1.587	62	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]P)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|P<4>,2|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]P){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	120.0960	1.638	2	120.0960	2.682	2	119.6870	1.453	42	119.7693	1.587	62	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Si)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Si<4>,1|C<3>,2|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Si){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	120.2130	0.490	8	120.2130	0.240	8	119.6870	1.453	42	119.7693	1.587	62	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<3>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.7040	1.689	2	118.7040	2.851	2	119.6870	1.453	42	119.7693	1.587	62	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<3>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>,2|C<4>}	118.7585	0.158	2	118.7585	0.025	2	119.6870	1.453	42	119.7693	1.587	62	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<3>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	119.4045	1.134	4	119.4045	1.285	4	119.6870	1.453	42	119.7693	1.587	62	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ir)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ir<5>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ir){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	119.5630	0.000	1	119.5630	0.000	1	119.6870	1.453	42	119.7693	1.587	62	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ir)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CIrHH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ir<5>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ir){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CIrHH){2|C<3>,3|C<4>}	118.4920	0.000	1	118.4920	0.000	1	119.6870	1.453	42	119.7693	1.587	62	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ni)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<3>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ni){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.7895	0.805	2	118.7920	0.580	4	119.6870	1.453	42	119.7693	1.587	62	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ni)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ni<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ni){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.7945	1.044	2	118.7920	0.580	4	119.6870	1.453	42	119.7693	1.587	62	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|P<2>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]P){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	119.1887	1.178	4	119.1887	1.387	4	119.6870	1.453	42	119.7693	1.587	62	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ru<5>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Ru){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	119.4330	0.809	2	119.4330	0.654	2	119.6870	1.453	42	119.7693	1.587	62	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Se)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Se<2>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]Se){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	118.3950	0.976	2	118.3950	0.952	2	119.6870	1.453	42	119.7693	1.587	62	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:Ga[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]N[6]I)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2{1|I<1>,2|H<1>,2|N<3>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]N[6]I)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	118.9760	0.000	1	118.9760	0.000	1	119.8310	1.877	3	119.7693	1.587	62	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:Ga[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]N[6]P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2{1|P<2>,2|H<1>,2|N<3>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]N[6]P)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	120.2585	1.630	2	120.2585	2.657	2	119.8310	1.877	3	119.7693	1.587	62	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:B[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]B)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|B<3>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]B){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<3>,1|H<1>,2|C<4>}	119.3940	0.796	2	119.3940	0.634	2	119.3720	0.593	8	119.7693	1.587	62	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:B[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]Br)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|Br<1>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]Br){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<3>,1|H<1>,2|C<4>}	119.3430	1.043	4	119.3430	1.087	4	119.3720	0.593	8	119.7693	1.587	62	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:B[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]B[5]C[5])(C[6a]C[6a]C)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(B[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<3>,1|H<1>,2|C<4>}	119.4080	0.498	2	119.4080	0.248	2	119.3720	0.593	8	119.7693	1.587	62	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:P[5]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Co)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Co)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Co<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Co){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Co){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	120.8820	1.373	2	121.5097	1.156	4	120.3597	3.768	7	119.7693	1.587	62	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:P[5]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Co)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Co)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Co<5>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Co){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Co){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	122.1375	0.076	2	121.5097	1.156	4	120.3597	3.768	7	119.7693	1.587	62	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:P[5]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Ni)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Ni)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Ni<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Ni){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Ni){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	117.7910	0.000	1	117.7910	0.000	1	120.3597	3.768	7	119.7693	1.587	62	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:P[5]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Pt)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Pt)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Pt<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(P[5]N[5]Pt){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Pt){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	119.3440	2.278	2	119.3440	5.191	2	120.3597	3.768	7	119.7693	1.587	62	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:2:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:O[6a]-2:O-1:	C[6a](C[6a]C[6a]H)(C[6a]O[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[6a](C[6a]C[6a]N[5])(O[6a]C[6a])(O)	C[6a](C[6a]C[6a]H)(C[6a]O[6a]O)(N[5]C[5]2){1|C<3>,2|C<4>,5|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{1|C<3>,1|O<1>,1|O<2>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(O[6a]C[6a])(O){1|H<1>,2|C<3>,2|C<4>}	117.8780	0.000	1	117.8780	0.000	1	117.8780	0.000	1	117.8780	0.000	1	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[5,6a]C[6a])(C[5]C[5]HH)2	C[6a](C[6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,3|C<3>,3|C<4>,5|H<1>}	N[5](C[6a]C[5,6a]C[6a])(C[5]C[5]HH)2{1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	122.3200	0.000	1	122.3200	0.000	1	122.3200	0.000	1	121.5342	1.509	23	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]CH)2	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5]2){1|N<2>,3|C<3>,3|H<1>,4|C<4>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]CH)2{3|C<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	121.0900	0.000	1	121.0900	0.000	1	121.0900	0.000	1	121.5342	1.509	23	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,4|C<4>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)2{3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	123.5245	1.214	2	123.5245	1.474	2	121.5179	1.619	21	121.5342	1.509	23	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	120.9860	0.000	1	120.9860	0.000	1	121.5179	1.619	21	121.5342	1.509	23	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Co<9>,1|N<2>,4|C<4>,6|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H)(H){1|C<3>,3|C<4>}	121.1750	0.000	1	121.1750	0.000	1	121.5179	1.619	21	121.5342	1.509	23	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	120.2780	0.000	1	120.2780	0.000	1	121.5179	1.619	21	121.5342	1.509	23	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){2|C<3>,3|C<4>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,4|C<3>}	120.6090	0.000	1	120.6090	0.000	1	121.5179	1.619	21	121.5342	1.509	23	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|C<3>,2|C<4>,6|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{1|H<1>,1|N<3>,2|C<3>,4|F<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	123.5340	0.000	1	123.5340	0.000	1	121.5179	1.619	21	121.5342	1.509	23	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]O[6a]O)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]O[6a]O)(N[5]C[5]2){1|C<3>,2|C<4>,5|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{1|C<3>,1|O<1>,1|O<2>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	123.6060	0.000	1	123.6060	0.000	1	121.5179	1.619	21	121.5342	1.509	23	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,3|C<4>,5|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	121.4980	0.898	2	121.3695	0.576	4	121.5179	1.619	21	121.5342	1.509	23	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,3|C<4>,5|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH){1|C<4>,3|C<3>,7|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	121.2410	0.925	2	121.3695	0.576	4	121.5179	1.619	21	121.5342	1.509	23	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,4|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	120.7795	0.989	2	120.7795	0.979	2	121.5179	1.619	21	121.5342	1.509	23	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	121.1340	1.385	2	121.1340	1.917	2	121.5179	1.619	21	121.5342	1.509	23	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.9505	0.900	2	120.9505	0.810	2	121.5179	1.619	21	121.5342	1.509	23	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,2|C<4>,6|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	120.9685	1.875	2	120.9685	3.514	2	121.5179	1.619	21	121.5342	1.509	23	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,4|C<4>,6|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{1|H<1>,1|N<3>,2|C<3>,4|F<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	121.4960	0.000	1	121.4960	0.000	1	121.5179	1.619	21	121.5342	1.509	23	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,4|C<4>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)2{3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCO){1|C<3>,2|C<4>,2|H<1>}	117.2695	0.390	2	117.2695	0.152	2	118.0623	1.962	3	118.7273	3.998	6	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CHN){1|C<3>,2|C<4>,2|H<1>}	119.6480	0.000	1	119.6480	0.000	1	118.0623	1.962	3	118.7273	3.998	6	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){2|C<3>,3|C<4>,4|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(NC[6a]H){1|H<1>,2|C<3>,2|C<4>}	121.7470	0.000	1	121.7470	0.000	1	119.1830	13.148	2	118.7273	3.998	6	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|C<3>,2|C<4>,6|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{1|H<1>,1|N<3>,2|C<3>,4|F<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NHH){1|C<3>,2|C<4>,2|H<1>}	116.6190	0.000	1	116.6190	0.000	1	119.1830	13.148	2	118.7273	3.998	6	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,4|C<4>,6|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{1|H<1>,1|N<3>,2|C<3>,4|F<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,4|C<4>,6|H<1>}	119.8110	0.000	1	119.8110	0.000	1	119.8110	0.000	1	118.7273	3.998	6	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]BH)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|B<4>,1|C<3>,3|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]BH)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,3|C<4>}	120.5880	3.185	2	120.5880	10.143	2	120.2099	4.872	18	120.2099	4.872	18	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,3|H<1>,5|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,3|C<4>}	120.5845	3.280	2	120.6345	8.071	4	120.2099	4.872	18	120.2099	4.872	18	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){2|C<3>,3|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,3|C<4>}	120.6845	3.666	2	120.6345	8.071	4	120.2099	4.872	18	120.2099	4.872	18	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HN)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HN){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,3|C<4>}	120.7125	2.584	2	120.7125	6.680	2	120.2099	4.872	18	120.2099	4.872	18	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HP)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|P<3>,3|H<1>,4|C<4>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HP){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,3|C<4>}	120.1905	2.296	2	120.1905	5.272	2	120.2099	4.872	18	120.2099	4.872	18	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,3|C<4>,5|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|O<2>,3|C<4>}	120.2945	3.200	2	120.2945	10.238	2	120.2099	4.872	18	120.2099	4.872	18	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|N<3>,2|C<3>,6|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH){1|Ir<6>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CH3){1|C<3>,4|C<4>}	119.7005	2.033	2	119.7005	4.133	2	120.2099	4.872	18	120.2099	4.872	18	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HP)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|P<3>,5|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HP){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,3|C<4>}	119.5670	2.480	4	119.5670	6.149	4	120.2099	4.872	18	120.2099	4.872	18	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	3:4:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[6a](C[6a]C[6a]N[5])(C[5]C[5]2Co)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Co<9>,1|N<2>,4|C<4>,6|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[5]C[5]2Co)(C[6a]N[6a]H){1|C<3>,3|H<1>,4|C<4>}	122.6550	0.000	1	122.6550	0.000	1	122.6550	0.000	1	122.6550	0.000	1	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	3:4:4:	4:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[5]-4:C[5]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	122.1730	0.000	1	122.1730	0.000	1	122.1730	0.000	1	122.1730	0.000	1	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.9865	0.484	2	120.9865	0.235	2	120.6288	0.970	18	120.4713	3.070	113	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5]){1|N<3>,1|S<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.5905	0.766	4	120.6467	0.888	8	120.6288	0.970	18	120.4713	3.070	113	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	120.1505	0.822	2	120.6467	0.888	8	120.6288	0.970	18	120.4713	3.070	113	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	121.2555	1.593	2	120.6467	0.888	8	120.6288	0.970	18	120.4713	3.070	113	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]){1|Br<1>,1|N<2>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.1675	1.718	2	120.5214	1.384	8	120.6288	0.970	18	120.4713	3.070	113	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]){1|Br<1>,1|N<2>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.2685	2.098	2	120.5214	1.384	8	120.6288	0.970	18	120.4713	3.070	113	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	121.0000	0.827	2	120.5214	1.384	8	120.6288	0.970	18	120.4713	3.070	113	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|O<1>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.6495	0.886	2	120.5214	1.384	8	120.6288	0.970	18	120.4713	3.070	113	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5,6])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	N[5](C[5,5]C[5,5]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5,6]){1|N<3>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.5280	5.875	2	120.5280	34.511	2	120.4350	11.939	8	120.4713	3.070	113	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(O[5]C[5]){3|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.3870	3.035	2	120.3870	9.211	2	120.4350	11.939	8	120.4713	3.070	113	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>,4|C<4>}	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,1|N<3>,1|O<2>,3|C<3>,8|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.5060	2.523	2	120.4125	13.275	4	120.4350	11.939	8	120.4713	3.070	113	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>,4|C<4>}	N[5](C[5,5]C[5]3)(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,1|O<2>,5|C<3>,7|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.3190	5.781	2	120.4125	13.275	4	120.4350	11.939	8	120.4713	3.070	113	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5]){1|Br<1>,2|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.4555	0.384	2	120.5208	2.333	6	120.5415	1.722	8	120.4713	3.070	113	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|O<1>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.5535	1.958	4	120.5208	2.333	6	120.5415	1.722	8	120.4713	3.070	113	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.6035	0.612	2	120.6035	0.374	2	120.5415	1.722	8	120.4713	3.070	113	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]O[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.2525	0.920	2	120.2525	0.846	2	120.2525	0.846	2	120.4713	3.070	113	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6]CC)(C[6a]C[6a]2)(N[5]C[5,6])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	N[5](C[5]C[5,6]CC)(C[6a]C[6a]2)(N[5]C[5,6]){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.4015	2.228	4	120.4015	4.963	4	120.6168	0.932	24	120.4713	3.070	113	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,6])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,6]){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.6760	1.097	2	120.6760	1.204	2	120.6168	0.932	24	120.4713	3.070	113	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5]){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.7080	0.451	2	120.7080	0.204	2	120.6168	0.932	24	120.4713	3.070	113	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|S<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.3735	1.039	2	120.3735	1.079	2	120.6168	0.932	24	120.4713	3.070	113	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	120.9155	0.637	2	120.6916	0.281	14	120.6168	0.932	24	120.4713	3.070	113	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.6011	0.569	10	120.6916	0.281	14	120.6168	0.932	24	120.4713	3.070	113	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	120.9205	0.220	2	120.6916	0.281	14	120.6168	0.932	24	120.4713	3.070	113	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>}	124.1320	0.000	1	124.1320	0.000	1	120.3551	3.994	53	120.4713	3.070	113	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[4,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[4,5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[4,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[4,5]){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.5080	0.945	2	120.5080	0.892	2	120.3551	3.994	53	120.4713	3.070	113	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(O[5]C[5,5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(O[5]C[5,5]){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.2735	1.230	4	120.2735	1.514	4	120.3551	3.994	53	120.4713	3.070	113	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5,5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	N[5](C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]C[5,5]){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.4395	0.861	2	120.4395	0.741	2	120.3551	3.994	53	120.4713	3.070	113	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[5a]H)(C[6a]C[6a]2)(O[5]C[5,5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5,5]C[5a]H)(C[6a]C[6a]2)(O[5]C[5,5]){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.1525	1.845	2	120.1525	3.403	2	120.3551	3.994	53	120.4713	3.070	113	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.2875	2.668	2	120.4470	2.980	4	120.3551	3.994	53	120.4713	3.070	113	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[5]){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.6065	1.312	2	120.4470	2.980	4	120.3551	3.994	53	120.4713	3.070	113	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.0435	2.600	2	120.0435	6.760	2	120.3551	3.994	53	120.4713	3.070	113	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.9725	0.457	2	120.9725	0.209	2	120.3551	3.994	53	120.4713	3.070	113	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6a]C[6a]2)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5](C[5]C[5,6a]C[6a]2)(C[6a]C[6a]2)(O[5]C[5,6a]){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.2905	4.550	2	120.2905	20.705	2	120.3551	3.994	53	120.4713	3.070	113	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.0645	0.834	2	120.0735	9.184	4	120.3551	3.994	53	120.4713	3.070	113	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.0825	5.182	2	120.0735	9.184	4	120.3551	3.994	53	120.4713	3.070	113	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,5]){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.0750	1.365	2	120.0750	1.862	2	120.3551	3.994	53	120.4713	3.070	113	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5,6]){1|S<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.1560	1.116	2	120.1560	1.245	2	120.3551	3.994	53	120.4713	3.070	113	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.6520	2.432	2	120.2886	3.921	22	120.3551	3.994	53	120.4713	3.070	113	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.2345	3.016	2	120.2886	3.921	22	120.3551	3.994	53	120.4713	3.070	113	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.6425	2.142	2	120.2886	3.921	22	120.3551	3.994	53	120.4713	3.070	113	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){2|P<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.2198	3.020	4	120.2886	3.921	22	120.3551	3.994	53	120.4713	3.070	113	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.2135	2.295	6	120.2886	3.921	22	120.3551	3.994	53	120.4713	3.070	113	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.0705	1.585	4	120.2886	3.921	22	120.3551	3.994	53	120.4713	3.070	113	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	120.4245	0.848	2	120.2886	3.921	22	120.3551	3.994	53	120.4713	3.070	113	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	119.9435	5.660	2	119.9435	32.040	2	120.3551	3.994	53	120.4713	3.070	113	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:2:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]HH)	C[6a](N[5]C[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]HH){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	114.8560	0.000	1	114.8560	0.000	1	114.8560	0.000	1	114.8560	0.000	1	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a,6a]-3:N[5]-3:C[6a]-3:	Se[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5]Se[5,5]C[5])(C[6a]C[6a]H)	N[5](Se[5,5]C[5,6a]2N[5])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5]Se[5,5]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	N[5](Se[5,5]C[5,6a]2N[5])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O){1|H<1>,9|C<3>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(H){1|Se<4>,1|H<1>,3|C<3>}	120.1530	0.392	2	120.1530	0.153	2	120.1530	0.153	2	120.3846	2.693	55	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	118.7380	0.000	1	118.7380	0.000	1	120.3260	3.218	9	120.3846	2.693	55	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[5]C[6a]O[5]C)(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]O[5]C)(C[5]C[6a]N[5])(C[6a]C[6a]2){1|H<1>,1|N<2>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	119.3930	0.000	1	119.3930	0.000	1	120.3260	3.218	9	120.3846	2.693	55	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.1930	1.687	2	120.3957	3.580	6	120.3260	3.218	9	120.3846	2.693	55	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Pd<4>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	120.4970	2.231	4	120.3957	3.580	6	120.3260	3.218	9	120.3846	2.693	55	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|N<2>,1|N<3>,2|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5])(C[6a]C[6a]2){1|H<1>,1|N<3>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.4290	0.000	1	122.4290	0.000	1	120.3260	3.218	9	120.3846	2.693	55	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O){1|Cl<1>,1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>,2|H<1>}	120.4770	0.000	1	120.4770	0.000	1	120.4770	0.000	1	120.3846	2.693	55	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]N[5]O){1|Cl<1>,1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	121.0160	0.000	1	121.0160	0.000	1	120.5043	1.180	6	120.3846	2.693	55	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]N[5]C){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	119.4590	0.000	1	119.4590	0.000	1	120.5043	1.180	6	120.3846	2.693	55	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C){1|C<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.4400	1.167	2	120.4400	1.361	2	120.5043	1.180	6	120.3846	2.693	55	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]C){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	120.8355	1.719	2	120.8355	2.955	2	120.5043	1.180	6	120.3846	2.693	55	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|N<2>,1|S<2>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.1455	0.241	2	120.1378	0.662	6	120.1378	0.662	6	120.3846	2.693	55	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|N<3>,3|H<1>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.0530	0.148	2	120.1378	0.662	6	120.1378	0.662	6	120.3846	2.693	55	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,5]C[5]2N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|N<3>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.2150	1.790	2	120.1378	0.662	6	120.1378	0.662	6	120.3846	2.693	55	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]C){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	118.5880	0.133	2	118.5880	0.018	2	119.1052	0.369	4	120.3846	2.693	55	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]S)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|S<2>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]S){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	119.6225	0.142	2	119.6225	0.020	2	119.1052	0.369	4	120.3846	2.693	55	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]2C[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<2>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]2C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Cl<1>,4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	120.1760	1.252	2	120.1760	1.566	2	120.1760	1.566	2	120.3846	2.693	55	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]S)	N[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]S){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	122.1730	0.000	1	122.1730	0.000	1	120.8827	1.838	3	120.3846	2.693	55	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5,6]O)(C[6a]C[6a]2){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.2375	1.085	2	120.2375	1.178	2	120.8827	1.838	3	120.3846	2.693	55	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|O<2>}	122.8035	0.053	2	122.8035	0.003	2	120.7542	2.720	6	120.3846	2.693	55	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[6a]C[6a]2)(C[5]O[5]O){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.6980	0.742	2	119.6980	0.551	2	120.7542	2.720	6	120.3846	2.693	55	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]O[5]O){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.7610	0.666	2	119.7610	0.444	2	120.7542	2.720	6	120.3846	2.693	55	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:P[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]P[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]C[6]H)(P[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]P[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(P[5]C[5]N[5])(C[6a]C[6a]2){1|Fe<10>,3|C<3>,4|C<4>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<3>,2|C<4>}	121.1068	2.045	4	121.1068	4.181	4	121.1068	4.181	4	120.3846	2.693	55	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.4502	2.253	6	120.5556	6.762	10	120.5556	6.762	10	120.3846	2.693	55	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	120.7138	3.431	4	120.5556	6.762	10	120.5556	6.762	10	120.3846	2.693	55	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:N[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]N[5]P[5])(C[6a]C[6a]H)2	N[5](P[5]C[5,6a]C[6a]2)(N[5]C[5,6a]Zn)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]N[5]P[5])(C[6a]C[6a]H)2{1|Zn<4>,2|H<1>,5|C<3>}	N[5](P[5]C[5,6a]C[6a]2)(N[5]C[5,6a]Zn)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|P<4>,2|H<1>}	119.8265	2.272	2	119.8265	5.162	2	119.8265	5.162	2	120.3846	2.693	55	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[5]C[6a]O[5]C)(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]O[5]C)(C[5]C[6a]N[5])(C[6a]C[6a]2){1|H<1>,1|N<2>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC){1|C<4>,2|C<3>,2|H<1>}	120.2820	0.000	1	120.2820	0.000	1	120.2820	0.000	1	119.0780	0.660	5	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(C[5]N[5]C){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC){1|C<4>,2|C<3>,2|H<1>}	119.5450	0.000	1	119.5450	0.000	1	119.5450	0.000	1	119.0780	0.660	5	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-2:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]S)	N[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(SC)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]S){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5,6]C[6]2O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<4>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(SC){1|C<4>,2|C<3>,2|H<1>}	118.4200	0.000	1	118.4200	0.000	1	118.4200	0.000	1	119.0780	0.660	5	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	118.5715	0.165	2	118.5715	0.027	2	118.5715	0.027	2	119.0780	0.660	5	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CNO){1|C<4>,2|C<3>,2|H<1>}	121.6430	0.000	1	121.6430	0.000	1	121.6430	0.000	1	120.2711	1.052	8	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(N[5]C[5]2)	N[5](C[5]B[5]C[6]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)2(N[5]C[5]2){1|B<3>,1|C<4>,1|N<2>,3|H<1>,6|C<3>}	N[5](C[5]B[5]C[6]H)(C[5]C[6a]N[5])(C[6a]C[6a]2){1|H<1>,3|C<4>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,3|C<4>,5|C<3>}	119.8870	1.406	2	119.8870	1.976	2	119.8870	1.976	2	120.2711	1.052	8	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|N<2>,1|N<3>,2|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5])(C[6a]C[6a]2){1|H<1>,1|N<3>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>,3|C<4>}	119.2760	0.000	1	119.2760	0.000	1	119.2760	0.000	1	120.2711	1.052	8	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCC)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]C){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCC){1|C<4>,2|C<3>,2|H<1>}	120.6870	0.000	1	120.6870	0.000	1	121.0525	0.267	2	120.2711	1.052	8	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCH)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]N[5]C){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCH){1|C<4>,2|C<3>,2|H<1>}	121.4180	0.000	1	121.4180	0.000	1	121.0525	0.267	2	120.2711	1.052	8	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[6a]-3:	S[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](N[5]C[5]S[5])(C[6a]C[6a]N)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]C)	C[6a](N[5]C[5]S[5])(C[6a]C[6a]N)2{2|H<1>,3|C<3>,3|O<1>}	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|N<3>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]C){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	119.6855	0.209	2	119.6855	0.044	2	119.6855	0.044	2	120.2711	1.052	8	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:Ga[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2	N[5](C[5,5]C[5,6a]C[5]2)(Ga[5]Ga[5]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]C[5,5]Ga[5])(C[6a]C[6a]C)2{1|Ga<3>,2|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(Ga[5]Ga[5]C[5])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<3>,1|C<3>,1|H<1>,2|C<4>}	120.4585	2.587	2	120.4585	6.694	2	120.4585	6.694	2	120.0902	1.264	18	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Ga[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ga[5,5]C[5])(C[6a]C[6a]C)2	N[5](Ga[5,5]N[5]3)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ga[5,5]C[5])(C[6a]C[6a]C)2{2|C<3>,3|H<1>,3|N<3>}	N[5](Ga[5,5]N[5]3)(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	120.4545	1.114	4	120.4545	1.241	4	120.3998	0.875	6	120.0902	1.264	18	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Ga[5,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ga[5,5]C[5])(C[6a]C[6a]C)2	N[5](Ga[5,5]N[5]P[5]2)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ga[5,5]C[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,2|P<3>,3|H<1>}	N[5](Ga[5,5]N[5]P[5]2)(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,2|P<3>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	120.2905	0.787	2	120.2905	0.619	2	120.3998	0.875	6	120.0902	1.264	18	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Ga[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2	N[5](Ga[5]N[5]N[6]P)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Ga[5]C[5])(C[6a]C[6a]C)2{1|P<3>,2|C<3>,2|N<3>,3|H<1>}	N[5](Ga[5]N[5]N[6]P)(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	120.1917	1.428	4	120.1917	2.039	4	120.1917	2.039	4	120.0902	1.264	18	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Si[4,5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Si[4,5]C[5])(C[6a]C[6a]C)2	N[5](Si[4,5]N[4]N[5]O[4])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Si[4,5]C[5])(C[6a]C[6a]C)2{1|O<2>,2|C<3>,2|N<3>,3|H<1>}	N[5](Si[4,5]N[4]N[5]O[4])(C[6a]C[6a]2)(C[5]C[5]H){1|B<3>,1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	119.6040	0.598	2	119.6040	0.358	2	119.6040	0.358	2	120.0902	1.264	18	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Si[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]C)2	N[5](Si[5]C[5]NN)(C[6a]C[6a]2)(C[5]C[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]C)2{1|N<2>,2|H<1>,2|N<3>,3|C<3>}	N[5](Si[5]C[5]NN)(C[6a]C[6a]2)(C[5]C[5]N){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	119.6345	1.238	2	119.6345	1.533	2	119.5830	0.518	4	120.0902	1.264	18	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	Si[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]C)2	N[5](Si[5]C[5]NP)(C[6a]C[6a]2)(C[5]C[5]N)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]C)2{1|N<2>,1|N<3>,1|P<3>,2|H<1>,3|C<3>}	N[5](Si[5]C[5]NP)(C[6a]C[6a]2)(C[5]C[5]N){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	119.5315	0.095	2	119.5315	0.009	2	119.5830	0.518	4	120.0902	1.264	18	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]F)(N[5]C[5]2)	N[5](C[5]C[3,5]HH)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5])(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]F)(N[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	N[5](C[5]C[3,5]HH)(C[6a]C[6a]2)(C[5]C[5]HH){1|Cl<1>,1|F<1>,1|H<1>,1|N<4>,2|C<3>,2|C<4>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5])(Cl){1|F<1>,3|C<3>,3|C<4>}	120.5960	0.000	1	120.5960	0.000	1	120.5960	0.000	1	120.9160	2.934	60	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]F)(N[5]C[5]2)	N[5](C[5]C[3,5]HH)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[5])(F)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]F)(N[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	N[5](C[5]C[3,5]HH)(C[6a]C[6a]2)(C[5]C[5]HH){1|Cl<1>,1|F<1>,1|H<1>,1|N<4>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N[5])(F){1|Cl<1>,2|C<3>,2|C<4>}	122.7600	0.000	1	122.7600	0.000	1	122.9373	11.550	3	120.9160	2.934	60	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F)	C[6a](C[6a]C[6a]F)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){2|F<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(F){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	123.0260	4.801	2	123.0260	23.052	2	122.9373	11.550	3	120.9160	2.934	60	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){2|C<3>,2|C<4>,5|H<1>}	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	121.1520	0.000	1	121.1520	0.000	1	120.8268	2.063	31	120.9160	2.934	60	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Cl<1>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	123.2840	0.000	1	123.2840	0.000	1	120.8268	2.063	31	120.9160	2.934	60	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(N[5]C[5]2)	N[5](C[5]N[5]PdH)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(N[5]C[5]2){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[5](C[5]N[5]PdH)(C[6a]C[6a]2)(C[5]C[5]HH){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>,2|C<4>}	116.4440	0.000	1	116.4440	0.000	1	120.8268	2.063	31	120.9160	2.934	60	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]C[5a]H)(C[6a]C[6a]2)(C[5]C[5]CH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	N[5](C[5]C[5,5]C[5a]H)(C[6a]C[6a]2)(C[5]C[5]CH){1|S<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	121.0640	2.029	2	121.0640	4.118	2	120.8268	2.063	31	120.9160	2.934	60	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]S[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	N[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]S[5]CC){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.2620	2.502	2	120.2620	6.259	2	120.8268	2.063	31	120.9160	2.934	60	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	N[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	120.7170	2.843	2	120.7170	8.080	2	120.8268	2.063	31	120.9160	2.934	60	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	N[5](C[5]C[5a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]CH){1|S<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.6845	0.534	2	120.6845	0.285	2	120.8268	2.063	31	120.9160	2.934	60	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	N[5](C[5]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|Zn<5>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.9940	1.834	2	120.9940	3.364	2	120.8268	2.063	31	120.9160	2.934	60	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]2H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){2|C<3>,3|C<4>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]2H){1|C<4>,5|C<3>,7|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.4780	0.645	2	121.4780	0.416	2	120.8268	2.063	31	120.9160	2.934	60	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){4|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.7505	1.150	2	120.7505	1.324	2	120.8268	2.063	31	120.9160	2.934	60	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.7545	1.080	2	120.7545	1.166	2	120.8268	2.063	31	120.9160	2.934	60	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CC){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	120.7015	2.183	2	120.7015	4.765	2	120.8268	2.063	31	120.9160	2.934	60	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	121.2185	1.125	4	121.1640	0.777	6	120.8268	2.063	31	120.9160	2.934	60	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	121.0550	0.222	2	121.1640	0.777	6	120.8268	2.063	31	120.9160	2.934	60	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.5955	0.289	2	120.5955	0.084	2	120.8268	2.063	31	120.9160	2.934	60	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	N[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.8815	0.460	2	120.8815	0.212	2	120.8268	2.063	31	120.9160	2.934	60	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]N[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	N[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]N[5]HH){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	121.1478	1.821	4	121.1478	3.315	4	121.0585	4.292	12	120.9160	2.934	60	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]2H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]2H){1|O<1>,2|N<3>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	120.8755	3.051	2	120.8755	9.310	2	121.0585	4.292	12	120.9160	2.934	60	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	121.4390	1.628	2	121.4390	2.650	2	121.0585	4.292	12	120.9160	2.934	60	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]N[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<4>,2|C<3>,5|H<1>}	N[5](C[5,5]C[5,6a]N[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|B<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.8925	1.497	2	120.8925	2.241	2	121.0585	4.292	12	120.9160	2.934	60	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]N[5,5]P[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|P<4>,5|H<1>}	N[5](C[5,5]N[5,5]P[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.8485	4.747	2	120.8485	22.532	2	121.0585	4.292	12	120.9160	2.934	60	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH){1|C<2>,1|N<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	121.0625	0.359	2	121.0625	0.129	2	120.7601	2.446	10	120.9160	2.934	60	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]C[6a]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6a]C[6])(C[6a]C[6a]2)(C[5]N[5]HH){2|N<3>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.1005	0.402	2	121.1005	0.162	2	120.7601	2.446	10	120.9160	2.934	60	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]N[6]H)(C[6a]C[6a]2)(C[5]N[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	N[5](C[5,6]C[5,6]N[6]H)(C[6a]C[6a]2)(C[5]N[5]HH){1|S<4>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.5015	0.118	2	120.5015	0.014	2	120.7601	2.446	10	120.9160	2.934	60	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,6]C[5])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]CC){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	120.5680	2.647	4	120.5680	7.004	4	120.7601	2.446	10	120.9160	2.934	60	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](P[5]N[5]ClPt)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Cl<1>,1|Pt<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](P[5]N[5]ClPt)(C[6a]C[6a]2)(C[5]C[5]HH){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|P<4>}	118.7560	0.000	1	118.7560	0.000	1	119.8740	1.265	3	120.9160	2.934	60	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](P[5]N[5]Ni2)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){2|Ni<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](P[5]N[5]Ni2)(C[6a]C[6a]2)(C[5]C[5]HH){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|P<4>}	119.8610	0.000	1	119.8610	0.000	1	119.8740	1.265	3	120.9160	2.934	60	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](P[5]N[5]Pt2)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){2|Pt<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](P[5]N[5]Pt2)(C[6a]C[6a]2)(C[5]C[5]HH){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|P<4>}	121.0050	0.000	1	121.0050	0.000	1	119.8740	1.265	3	120.9160	2.934	60	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[5a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){2|C<3>,2|C<4>,5|H<1>}	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[5a]HH){1|C<3>,2|C<4>,2|H<1>}	119.4890	0.000	1	119.4890	0.000	1	120.4979	4.302	28	120.6620	4.175	32	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2)	N[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5]C[5]2){1|Cl<1>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]Cl)(CH3){1|C<3>,2|C<4>,2|H<1>}	116.0830	0.000	1	116.0830	0.000	1	120.4979	4.302	28	120.6620	4.175	32	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){2|C<3>,3|H<1>,4|C<4>}	N[5](C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC){1|N<3>,2|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,3|C<4>}	120.5720	2.198	2	120.5720	4.830	2	120.4979	4.302	28	120.6620	4.175	32	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]HN)(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	N[5](C[5]C[5,6]HN)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,3|C<4>}	120.6195	2.239	2	120.6195	5.015	2	120.4979	4.302	28	120.6620	4.175	32	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]HP)(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|P<3>,3|H<1>,4|C<4>}	N[5](C[5]C[5,6]HP)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,3|C<4>}	120.8215	3.202	2	120.8215	10.256	2	120.4979	4.302	28	120.6620	4.175	32	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5,6]SiH)(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Si<4>,1|C<3>,3|H<1>,4|C<4>}	N[5](C[5]C[5,6]SiH)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,3|C<4>}	120.6305	3.177	2	120.6305	10.094	2	120.4979	4.302	28	120.6620	4.175	32	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5]AlH)(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Al<4>,1|C<3>,3|H<1>,4|C<4>}	N[5](C[5]C[5]AlH)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,3|C<4>}	120.7495	3.048	2	120.7495	9.292	2	120.4979	4.302	28	120.6620	4.175	32	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5]GaH)(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Ga<4>,1|C<3>,3|H<1>,4|C<4>}	N[5](C[5]C[5]GaH)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,3|C<4>}	120.8501	1.991	10	120.8501	3.963	10	120.4979	4.302	28	120.6620	4.175	32	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|Si<4>,1|C<3>,3|H<1>,4|C<4>}	N[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,3|C<4>}	120.4695	2.298	4	120.4695	5.282	4	120.4979	4.302	28	120.6620	4.175	32	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(N[5]C[5]2)	N[5](C[5]N[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(N[5]C[5]2){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	N[5](C[5]N[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC){2|H<1>,4|C<3>,4|C<4>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,3|C<4>}	120.6015	1.725	2	120.6015	2.974	2	120.4979	4.302	28	120.6620	4.175	32	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:4:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(N[5]C[5]2)	N[5](C[5]N[5]PdH)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Pd)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(N[5]C[5]2){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[5](C[5]N[5]PdH)(C[6a]C[6a]2)(C[5]C[5]HH){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Pd){1|C<3>,2|C<4>,2|H<1>}	123.8690	0.000	1	123.8690	0.000	1	123.8690	0.000	1	120.6620	4.175	32	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:P-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](P[5]N[5]ClPt)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Pt)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Cl<1>,1|Pt<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](P[5]N[5]ClPt)(C[6a]C[6a]2)(C[5]C[5]HH){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Pt){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	122.0380	0.000	1	122.0380	0.000	1	121.1253	0.798	3	120.6620	4.175	32	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:P-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](P[5]N[5]Ni2)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Ni)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){2|Ni<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](P[5]N[5]Ni2)(C[6a]C[6a]2)(C[5]C[5]HH){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Ni){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	120.2530	0.000	1	120.2530	0.000	1	121.1253	0.798	3	120.6620	4.175	32	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:3:4:	3:3:4:	N[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:P-4:	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](P[5]N[5]Pt2)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Pt)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){2|Pt<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](P[5]N[5]Pt2)(C[6a]C[6a]2)(C[5]C[5]HH){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2Pt){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	121.0850	0.000	1	121.0850	0.000	1	121.1253	0.798	3	120.6620	4.175	32	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|N<3>,3|C<3>,5|H<1>}	N[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]N[6])(H){1|C<3>,1|H<1>,1|N<3>,4|C<4>}	119.6100	0.000	1	119.6100	0.000	1	121.2406	2.523	11	120.8697	4.395	25	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[3,5]C[6a]H)(C[5]N[3,5]C[6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5](C[5]C[3,5]C[6a]H)(C[5]N[3,5]C[6a]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	123.7060	0.000	1	123.7060	0.000	1	121.2406	2.523	11	120.8697	4.395	25	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2){1|O<2>,2|C<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	124.2840	0.000	1	124.2840	0.000	1	121.2406	2.523	11	120.8697	4.395	25	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[3,5]HH)(C[5]N[3,5]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	N[5](C[5]C[3,5]HH)(C[5]N[3,5]HH)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.8440	0.434	2	120.8440	0.188	2	121.2406	2.523	11	120.8697	4.395	25	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[5a]C[5]H)(C[5]C[5a]N[5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5](C[5]C[5a]C[5]H)(C[5]C[5a]N[5]H)(C[6a]C[6a]2){2|S<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.6640	0.085	2	120.6640	0.007	2	121.2406	2.523	11	120.8697	4.395	25	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6a]C[6a]2){1|S<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.7780	0.321	2	120.7780	0.103	2	121.2406	2.523	11	120.8697	4.395	25	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(N[5]C[5]2)	N[5](C[5]N[3,5]C[6a]H)(C[5]C[3,5]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	N[5](C[5]N[3,5]C[6a]H)(C[5]C[3,5]HH)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.7375	2.241	2	120.7375	5.021	2	121.2406	2.523	11	120.8697	4.395	25	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,4|H<1>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.5155	2.282	4	120.5155	5.207	4	120.6377	6.570	10	120.8697	4.395	25	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,4|H<1>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.4895	3.849	2	120.4895	14.813	2	120.6377	6.570	10	120.8697	4.395	25	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,3|H<1>,8|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	120.8340	3.079	4	120.8340	9.481	4	120.6377	6.570	10	120.8697	4.395	25	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:S[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]C[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[5]C[5,6a]CH)(S[5]C[5,6a]OO)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]C[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	N[5](C[5]C[5,6a]CH)(S[5]C[5,6a]OO)(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|S<4>,2|C<4>}	119.2555	1.251	2	119.2555	1.565	2	119.2555	1.565	2	120.8697	4.395	25	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:1:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:Si[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(Si[5]O[5]CC)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H)	C[6a](N[5]Si[5]C[5])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(Si[5]O[5]CC)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	121.6040	3.349	2	121.6040	11.215	2	121.6040	11.215	2	120.8697	4.395	25	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[3,5]C[6a]H)(C[5]N[3,5]C[6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5](C[5]C[3,5]C[6a]H)(C[5]N[3,5]C[6a]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|C<4>,2|H<1>}	118.8640	0.000	1	118.8640	0.000	1	118.2050	0.869	2	119.5828	2.822	4	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2)	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5]C[5]2){2|C<4>,3|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2){1|O<2>,2|C<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|C<4>,2|H<1>}	117.5460	0.000	1	117.5460	0.000	1	118.2050	0.869	2	119.5828	2.822	4	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:2:	N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:S[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[6a](N[5]C[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[5]C[5,6a]CH)(S[5]C[5,6a]OO)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC)	C[6a](N[5]C[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	N[5](C[5]C[5,6a]CH)(S[5]C[5,6a]OO)(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	120.9605	0.066	2	120.9605	0.004	2	120.9605	0.004	2	119.5828	2.822	4	120.2898	3.355	606	120.1652	3.752	714
643	542	643	0:SP2_SP2_SP3	C[6a]	N[5]	C[6a]	3:3:3:	4:4:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2)	N[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5]C[5]2){1|N<3>,3|C<3>,5|H<1>}	N[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO){1|C<3>,2|C<4>,2|H<1>}	124.6130	0.000	1	124.6130	0.000	1	124.6130	0.000	1	124.6130	0.000	1	120.2898	3.355	606	120.1652	3.752	714
643	542	643	6:SP2_SP2_SP2	C[6,6,6a]	N[5,6,6]	C[6,6a]	3:3:3:	4:4:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[5,6,6]-3:	C[5,6]-4:C[5,6]-4:C[6,6,6a]-3:	C[6,6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6,6a](C[6,6a]C[6,6a]C[6a])2(N[5,6,6]C[5,6]2)	N[5,6,6](C[5,6]C[6,6a]C[5]H)2(C[6,6,6a]C[6,6a]2)	C[6,6a](C[6,6,6a]N[5,6,6]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[6,6a]C[6,6a]C[6a])2(N[5,6,6]C[5,6]2){4|H<1>,7|C<3>}	N[5,6,6](C[5,6]C[6,6a]C[5]H)2(C[6,6,6a]C[6,6a]2){8|C<3>}	C[6,6a](C[6,6,6a]N[5,6,6]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,3|C<4>,4|C<3>}	120.2580	1.253	2	120.2580	1.570	2	120.2580	1.570	2	120.3253	2.540	4	120.3253	2.540	4	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6,6a]	N[5,6,6]	C[6,6a]	3:3:3:	4:4:3:	3:3:3:	N[5,6,6]-3:C[6,6a]-3:C[6,6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6,6,6a]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6,6a](N[5,6,6]C[5,5,6]C[5,6])(C[6,6a]N[5,6]C[6a])(C[6,6a]C[6a]C[6])	N[5,6,6](C[5,5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5]C[6]H)(C[6,6,6a]C[6,6a]2)	C[6,6a](C[6,6,6a]N[5,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6,6a](N[5,6,6]C[5,5,6]C[5,6])(C[6,6a]N[5,6]C[6a])(C[6,6a]C[6a]C[6]){3|C<4>,4|C<3>,4|H<1>}	N[5,6,6](C[5,5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5]C[6]H)(C[6,6,6a]C[6,6a]2){1|O<1>,2|N<3>,3|H<1>,7|C<3>}	C[6,6a](C[6,6,6a]N[5,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	118.6560	0.000	1	118.6560	0.000	1	118.6560	0.000	1	120.3253	2.540	4	120.3253	2.540	4	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6,6a]	N[5,6,6]	C[6,6a]	3:3:3:	4:4:3:	3:3:3:	N[5,6,6]-3:C[6,6a]-3:C[6,6a]-3:	C[5,5,6]-4:C[5,6]-4:C[6,6,6a]-3:	C[6,6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6,6a](N[5,6,6]C[5,5,6]C[5,6])(C[6,6a]N[5,6]C[6a])(C[6,6a]C[6a]C[6])	N[5,6,6](C[5,5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5]C[6]H)(C[6,6,6a]C[6,6a]2)	C[6,6a](C[6,6,6a]N[5,6,6]C[6,6a])(N[5,6]C[5,5,6]C[5])(C[6a]C[6a]H)	C[6,6,6a](N[5,6,6]C[5,5,6]C[5,6])(C[6,6a]N[5,6]C[6a])(C[6,6a]C[6a]C[6]){3|C<4>,4|C<3>,4|H<1>}	N[5,6,6](C[5,5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5]C[6]H)(C[6,6,6a]C[6,6a]2){1|O<1>,2|N<3>,3|H<1>,7|C<3>}	C[6,6a](C[6,6,6a]N[5,6,6]C[6,6a])(N[5,6]C[5,5,6]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,5|C<3>}	122.1290	0.000	1	122.1290	0.000	1	122.1290	0.000	1	120.3253	2.540	4	120.3253	2.540	4	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6,6a]	3:3:3:	4:3:3:	3:3:3:	C[6,6,6a]-3:N[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	N[5,6,6]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]N[5,6,6]C[6,6a])(N[5,6]C[5,5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6,6a]C[6,6,6a]C[6a])(C[5]C[5,6a]O)	C[6,6,6a](N[5,6,6]C[5,5,6]C[5,6])(C[6,6a]N[5,6]C[6a])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6,6a]N[5,6,6]C[6,6a])(N[5,6]C[5,5,6]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,5|C<3>}	N[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6,6a]C[6,6,6a]C[6a])(C[5]C[5,6a]O){1|C<4>,1|H<1>,1|O<1>,2|N<3>,5|C<3>}	C[6,6,6a](N[5,6,6]C[5,5,6]C[5,6])(C[6,6a]N[5,6]C[6a])(C[6,6a]C[6a]C[6]){3|C<4>,4|C<3>,4|H<1>}	117.3990	0.000	1	117.3990	0.000	1	117.3990	0.000	1	117.3990	0.000	1	116.5097	0.637	4	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6,6a]	3:3:3:	4:3:3:	3:4:3:	C[6,6,6a]-3:N[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[5,6]C[5,5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6,6a]C[6a])(C[5]C[5]O)	C[6,6,6a](C[6,6a]N[5,6]C[6a])(C[6,6]C[5,6]C[6]O)(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[5,6]C[5,5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,2|O<2>,5|C<4>}	N[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6,6a]C[6a])(C[5]C[5]O){1|C<4>,4|C<3>,6|H<1>}	C[6,6,6a](C[6,6a]N[5,6]C[6a])(C[6,6]C[5,6]C[6]O)(C[6,6a]C[6a]C[6]){2|C<4>,4|C<3>,6|H<1>}	116.8720	0.000	1	116.8720	0.000	1	116.2133	0.429	3	116.2133	0.429	3	116.5097	0.637	4	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6,6a]	3:3:3:	4:3:3:	3:4:3:	C[6,6,6a]-3:N[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[5,6]C[5,5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6,6a]C[6a])(C[5]C[5]O)	C[6,6,6a](C[6,6a]N[5,6]C[6a])(C[6,6]C[5,6]C[6]O)(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[5,6]C[5,5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6,6a]C[6a])(C[5]C[5]O){3|C<3>,3|C<4>,3|H<1>}	C[6,6,6a](C[6,6a]N[5,6]C[6a])(C[6,6]C[5,6]C[6]O)(C[6,6a]C[6a]C[6]){2|C<3>,3|C<4>,7|H<1>}	115.8840	0.455	2	115.8840	0.207	2	116.2133	0.429	3	116.2133	0.429	3	116.5097	0.637	4	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a,6a]	3:3:3:	3:4:3:	3:3:3:	C[6,6a,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:B[5]-4:C[5,6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]B[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a,6a]C[6a])(B[5]C[5,6a]C[6a]2)(C[5,6]C[5,6a]N[6])	C[6,6a,6a](C[6,6a]N[5,6]C[6a])(C[6,6a]C[6a]N[6])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]B[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	N[5,6](C[6,6a]C[6,6a,6a]C[6a])(B[5]C[5,6a]C[6a]2)(C[5,6]C[5,6a]N[6]){2|H<1>,9|C<3>}	C[6,6a,6a](C[6,6a]N[5,6]C[6a])(C[6,6a]C[6a]N[6])(C[6a,6a]C[6a]2){1|B<4>,3|C<3>,5|H<1>}	118.4060	0.000	1	118.4060	0.000	1	118.4060	0.000	1	116.7980	5.171	2	117.0330	2.751	3	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a,6a]	3:3:3:	3:4:3:	3:3:3:	C[6,6a,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O)	C[6,6a,6a](C[6,6a]N[5,6]C[6a])(C[6,6a]C[6a]N[6])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	N[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O){2|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a]N[5,6]C[6a])(C[6,6a]C[6a]N[6])(C[6a,6a]C[6a]2){1|C<4>,3|C<3>,5|H<1>}	115.1900	0.000	1	115.1900	0.000	1	115.1900	0.000	1	116.7980	5.171	2	117.0330	2.751	3	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a,6a]	3:3:3:	3:4:4:	3:3:3:	C[6,6a,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]N[6]C)(C[5]C[5]CH)	C[6,6a,6a](C[6,6a]N[5,6]C[6a])(C[6,6a]C[6a]N[6])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>,4|C<4>}	N[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]N[6]C)(C[5]C[5]CH){1|C<4>,3|C<3>,5|H<1>}	C[6,6a,6a](C[6,6a]N[5,6]C[6a])(C[6,6a]C[6a]N[6])(C[6a,6a]C[6a]2){2|C<3>,3|C<4>,4|H<1>}	117.5030	0.000	1	117.5030	0.000	1	117.5030	0.000	1	117.5030	0.000	1	117.0330	2.751	3	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:N[6a]-2:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(N[6a]C[6a])	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]N[5])(C[5]C[5]C)	C[6,6a](C[6,6a]N[5,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(N[6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]N[5])(C[5]C[5]C){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]C){1|H<1>,4|C<3>}	117.7160	0.000	1	117.7160	0.000	1	117.4225	0.546	4	117.4225	0.546	4	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:N[6a]-2:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(N[6a]C[6a])	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]N[5])(C[5]C[5]H)	C[6,6a](C[6,6a]N[5,6]N[6a])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(N[6a]C[6a]){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]N[5])(C[5]C[5]H){1|Ir<7>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5,6]N[6a])(C[6a]C[6a]C)(C[6]C[6]H){2|H<1>,3|C<3>}	117.3520	0.000	1	117.7675	0.345	2	117.4225	0.546	4	117.4225	0.546	4	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:N[6a]-2:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(N[6a]C[6a])	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]N[5])(C[5]C[5]H)	C[6,6a](C[6,6a]N[5,6]N[6a])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(N[6a]C[6a]){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]N[5])(C[5]C[5]H){1|Ir<8>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5,6]N[6a])(C[6a]C[6a]C)(C[6]C[6]H){2|H<1>,3|C<3>}	118.1830	0.000	1	117.7675	0.345	2	117.4225	0.546	4	117.4225	0.546	4	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:N[6a]-2:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(N[6a]C[6a])	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]N[5])(C[5]C[5]H)	C[6,6a](C[6,6a]N[5,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(N[6a]C[6a]){1|N<3>,3|C<3>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]N[5])(C[5]C[5]H){1|Pd<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,4|C<3>}	116.4390	0.000	1	116.4390	0.000	1	117.4225	0.546	4	117.4225	0.546	4	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:2:	3:3:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:N[6a]-2:	C[6,6a]-3:C[5,6]-3:B[5]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]B[5])(N[6a]C[6a])	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]N[5,5]C[6])(B[5]N[5,5]FF)	C[6,6a](C[6,6a]N[5,6]N[6a])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]B[5])(N[6a]C[6a]){1|H<1>,2|C<3>,2|C<4>,2|F<1>,2|N<3>}	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]N[5,5]C[6])(B[5]N[5,5]FF){1|B<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5,6]N[6a])(C[6a]C[6a]C)(C[6]C[6]H){1|B<4>,2|C<3>,2|H<1>}	119.8430	0.000	1	119.8430	0.000	1	119.8430	0.000	1	118.9767	0.746	3	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:2:	3:3:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:N[6a]-2:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(N[6a]C[6a])	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6,6a](C[6,6a]N[5,6]N[6a])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(N[6a]C[6a]){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[5,6]N[6a])(C[6a]C[6a]C)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	118.5435	0.605	2	118.5435	0.366	2	118.5435	0.366	2	118.9767	0.746	3	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:2:	3:3:4:	3:4:3:	C[6,6a]-3:N[5,6]-3:S[6a]-2:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(S[6a]C[6a,6a])	N[5,6](C[6,6a]C[6,6a]S[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6,6a](C[6,6a]N[5,6]S[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(S[6a]C[6a,6a]){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	N[5,6](C[6,6a]C[6,6a]S[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<2>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]N[5,6]S[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O){1|C<2>,1|C<4>,5|C<3>}	121.7080	0.000	1	120.8025	1.640	2	120.8025	1.640	2	120.8025	1.640	2	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:2:	3:3:4:	3:4:3:	C[6,6a]-3:N[5,6]-3:S[6a]-2:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(S[6a]C[6a,6a])	N[5,6](C[6,6a]C[6,6a]S[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6,6a](C[6,6a]N[5,6]S[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(S[6a]C[6a,6a]){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	N[5,6](C[6,6a]C[6,6a]S[6a])(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]N[5,6]S[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O){1|C<4>,6|C<3>}	119.8970	0.000	1	120.8025	1.640	2	120.8025	1.640	2	120.8025	1.640	2	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:2:4:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[5]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]Cl)	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]Cl){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	121.8830	0.000	1	121.8830	0.000	1	121.4062	0.119	5	121.4062	0.119	5	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:2:4:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[5]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<2>,2|C<4>,2|H<1>}	121.5050	0.000	1	121.2870	0.063	4	121.4062	0.119	5	121.4062	0.119	5	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:2:4:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[5]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<2>,2|C<4>,2|H<1>}	121.0640	0.000	1	121.2870	0.063	4	121.4062	0.119	5	121.4062	0.119	5	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:2:4:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[5]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	121.0740	0.000	1	121.2870	0.063	4	121.4062	0.119	5	121.4062	0.119	5	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:2:4:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[5]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.5050	0.000	1	121.2870	0.063	4	121.4062	0.119	5	121.4062	0.119	5	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6]-3:C[6,6a]-3:P[5]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]P[5])(C[6a]C[6a]H)	N[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(P[5]C[5,6])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]P[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	N[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(P[5]C[5,6]){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|P<2>,3|H<1>,4|C<3>}	119.1130	0.000	1	119.1130	0.000	1	119.1130	0.000	1	118.9950	0.028	2	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:P[5]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]P[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[6])(P[5]C[5,6])	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]P[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[6])(P[5]C[5,6]){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|P<2>,2|C<3>,3|H<1>}	118.8770	0.000	1	118.8770	0.000	1	118.8770	0.000	1	118.9950	0.028	2	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]B[6]N[5])(C[5]N[5]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|B<4>,1|C<3>,1|N<2>,1|N<3>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]B[6]N[5])(C[5]N[5]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[6]B[6]){2|C<4>,2|H<1>,3|C<3>}	116.8080	0.301	2	116.8080	0.091	2	116.8080	0.091	2	118.2620	6.388	3	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O){1|H<1>,1|S<2>,5|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|H<1>,1|O<2>,4|C<3>}	121.1700	0.000	1	121.1700	0.000	1	121.1700	0.000	1	118.2620	6.388	3	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6]-3:C[6,6a]-3:C[5,6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]2)(C[6a]C[6a]H)	N[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]P[5])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]2)(C[6a]C[6a]H){1|N<3>,1|P<2>,2|H<1>,4|C<3>}	N[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]P[5]){1|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	118.4660	0.000	1	118.4660	0.000	1	118.4660	0.000	1	117.9129	0.501	14	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5,6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]2)(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[6])(C[5,6]C[6]P[5])	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]2)(C[6a]C[6a]H){1|N<3>,1|P<2>,3|C<3>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[6])(C[5,6]C[6]P[5]){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	117.1480	0.000	1	117.1480	0.000	1	117.1480	0.000	1	117.9129	0.501	14	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[5]C[5]N)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<1>,5|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[5]C[5]N){1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	118.9510	0.000	1	118.9510	0.000	1	118.9510	0.000	1	117.9129	0.501	14	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]C[5,6]O)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]C[5,6]O){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	116.9810	0.045	2	116.9810	0.002	2	117.0618	0.010	4	117.9129	0.501	14	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]C)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,5|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]C){1|Se<2>,1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	117.1100	0.000	1	117.1100	0.000	1	117.0618	0.010	4	117.9129	0.501	14	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]H){1|Ru<6>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	117.1750	0.000	1	117.1750	0.000	1	117.0618	0.010	4	117.9129	0.501	14	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:N[5]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]N[5])(C[6a]C[6a]Rh)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]Rh)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]N[5])(C[6a]C[6a]Rh){2|H<1>,5|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]Rh){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Rh<8>,1|H<1>,1|N<3>,5|C<3>}	117.9530	0.000	1	117.9530	0.000	1	117.9530	0.000	1	117.9129	0.501	14	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(N[5,6]N[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(C[5]C[5]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]N[5,6]C[6a])(N[6]B[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(N[5,6]N[5,6]C[5])(C[6a]C[6a]H){1|B<4>,1|N<3>,3|C<3>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(C[5]C[5]H){1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]N[5,6]C[6a])(N[6]B[6]H){1|B<4>,2|H<1>,2|N<3>,4|C<3>}	117.9315	0.043	2	117.9315	0.002	2	117.9315	0.002	2	117.9129	0.501	14	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]N[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]N[5,6]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.3540	0.000	1	118.3540	0.000	1	118.3540	0.000	1	117.9129	0.501	14	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[5,6]N[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(C[5]C[5]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[6]B[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[5,6]N[5,6]C[5])(C[6a]C[6a]H){1|B<4>,1|C<4>,3|C<3>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(C[5]C[5]H){1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[6]B[6]H){1|N<3>,2|H<1>,4|C<3>}	118.5945	0.019	2	118.5993	0.000	3	118.5993	0.000	3	117.9129	0.501	14	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[5,6]N[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(C[5]C[5]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[6]B[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[5,6]N[5,6]C[5])(C[6a]C[6a]H){1|B<4>,1|O<2>,3|C<3>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(C[5]C[5]H){1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[6]B[6]H){1|N<3>,2|H<1>,4|C<3>}	118.6090	0.000	1	118.5993	0.000	3	118.5993	0.000	3	117.9129	0.501	14	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]C)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]B[6]N[5])(C[5]C[5]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]C){1|B<4>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]B[6]N[5])(C[5]C[5]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CC){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	115.8910	0.000	1	115.8910	0.000	1	115.9997	1.149	3	116.8036	2.752	5	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6])(C[5]N[5]S)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,1|S<1>,2|C<3>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6])(C[5]N[5]S){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){2|H<1>,3|C<3>}	114.9860	0.000	1	114.9860	0.000	1	115.9997	1.149	3	116.8036	2.752	5	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]O)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5])(C[5]C[5]O){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	117.1220	0.000	1	117.1220	0.000	1	115.9997	1.149	3	116.8036	2.752	5	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:3:3:	3:3:4:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](N[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]N[6]S[5])	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6,6a](N[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|S<2>,3|C<3>,3|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]N[6]S[5]){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH){2|H<1>,3|C<3>}	116.6200	0.000	1	116.6200	0.000	1	116.6200	0.000	1	116.8036	2.752	5	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:3:3:	3:3:4:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a](N[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]N[5]N[6])	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]Cl)(S[6]N[6]OO)	C[6,6a](N[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,2|O<1>,3|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]N[5]N[6]){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]Cl)(S[6]N[6]OO){2|H<1>,3|C<3>}	119.3990	0.000	1	119.3990	0.000	1	119.3990	0.000	1	116.8036	2.752	5	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:3:4:	3:3:2:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]CH)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]CH){1|N<2>,1|S<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	117.0200	0.000	1	117.0200	0.000	1	117.0200	0.000	1	118.8795	6.915	2	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:3:4:	3:3:2:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]Ga[6]N[5])(C[5]C[5]HH)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[6]Ga[6])	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|Ga<4>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]Ga[6]N[5])(C[5]C[5]HH){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[6]Ga[6]){2|C<3>,2|H<1>,3|C<4>}	120.7390	0.000	1	120.7390	0.000	1	120.7390	0.000	1	118.8795	6.915	2	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:B[5]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]B[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(B[5]C[5,6a]CC)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]B[5])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(B[5]C[5,6a]CC){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,2|C<3>,3|H<1>}	119.9376	0.245	5	119.9376	0.060	5	119.9376	0.060	5	118.6277	2.276	10	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[5]C[5]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[5]C[5]HH){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	118.3800	0.000	1	118.3800	0.000	1	118.3800	0.000	1	118.6277	2.276	10	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]CH)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]CH){4|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	117.8660	0.000	1	117.8660	0.000	1	117.0523	0.557	4	118.6277	2.276	10	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5])(C[5]Si[5]HH)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|Si<5>,1|O<2>,2|C<3>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5])(C[5]Si[5]HH){1|O<3>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	116.1570	0.000	1	116.1570	0.000	1	117.0523	0.557	4	118.6277	2.276	10	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5])(C[5]C[5]2H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5])(C[5]C[5]2H){1|N<3>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	117.0930	0.453	2	117.0930	0.205	2	117.0523	0.557	4	118.6277	2.276	10	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:2:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]O[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(O[5]C[5,5])	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]O[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(O[5]C[5,5]){1|Br<1>,1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|Br<1>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	122.6440	0.000	1	122.6440	0.000	1	122.6440	0.000	1	121.7073	0.231	11	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:2:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<2>,2|C<4>,2|H<1>}	121.8890	0.000	1	121.6943	0.229	6	121.6486	0.154	9	121.7073	0.231	11	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:2:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	121.8610	0.000	1	121.6943	0.229	6	121.6486	0.154	9	121.7073	0.231	11	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:2:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<2>,2|C<4>,2|H<1>}	121.8355	0.021	2	121.6943	0.229	6	121.6486	0.154	9	121.7073	0.231	11	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:2:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	120.7270	0.000	1	121.6943	0.229	6	121.6486	0.154	9	121.7073	0.231	11	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:2:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.0180	0.000	1	121.6943	0.229	6	121.6486	0.154	9	121.7073	0.231	11	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:2:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	121.6240	0.000	1	121.6240	0.000	1	121.6486	0.154	9	121.7073	0.231	11	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:2:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	121.6710	0.000	1	121.5235	0.044	2	121.6486	0.154	9	121.7073	0.231	11	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:2:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.3760	0.000	1	121.5235	0.044	2	121.6486	0.154	9	121.7073	0.231	11	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:2:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[6,6a](C[6,6a]C[6a,6a]N[5,6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5]){2|C<4>,4|C<3>,5|H<1>}	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[5,6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	121.2990	0.000	1	121.2990	0.000	1	121.2990	0.000	1	121.7073	0.231	11	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:3:	3:3:2:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O){1|O<2>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	117.8240	0.000	1	117.8240	0.000	1	118.1353	0.229	10	118.3718	0.821	11	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:3:	3:3:2:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]O)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	118.1436	0.521	8	118.1699	0.244	9	118.1353	0.229	10	118.3718	0.821	11	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:3:	3:3:2:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]O)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]O[5]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	118.3800	0.000	1	118.1699	0.244	9	118.1353	0.229	10	118.3718	0.821	11	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:3:	3:3:2:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H){1|O<2>,1|S<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	120.7370	0.000	1	120.7370	0.000	1	120.7370	0.000	1	118.3718	0.821	11	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]H)(C[5]C[5]O)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]H)(C[5]C[5]O){4|C<3>,5|H<1>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	118.0940	0.000	1	118.0940	0.000	1	117.7220	0.277	2	117.0593	2.263	12	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5a,6]C[5]C)(C[5]C[5]O)	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5a,6]C[5]C)(C[5]C[5]O){4|C<3>,5|H<1>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	117.3500	0.000	1	117.3500	0.000	1	117.7220	0.277	2	117.0593	2.263	12	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[6]H)(C[5]C[5,6]O)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|O<1>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[6]H)(C[5]C[5,6]O){3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	116.4600	0.000	1	116.4600	0.000	1	116.6364	0.607	5	117.0593	2.263	12	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|O<1>,3|C<3>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	116.9500	0.000	1	116.9500	0.000	1	116.6364	0.607	5	117.0593	2.263	12	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O){4|C<3>,5|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	117.1930	0.339	2	117.1930	0.115	2	116.6364	0.607	5	117.0593	2.263	12	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]C)(C[5]C[6a]C[5])	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]C)(C[5]C[6a]C[5]){1|H<1>,1|O<1>,6|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	115.3860	0.000	1	115.3860	0.000	1	116.6364	0.607	5	117.0593	2.263	12	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]H)(C[5]C[5]O)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]H)(C[5]C[5]O){1|N<3>,3|C<3>,5|H<1>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	117.8740	0.000	1	117.8740	0.000	1	115.5690	10.626	2	117.0593	2.263	12	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[5]C[6a]N[5])	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[5]C[6a]N[5]){1|H<1>,1|N<3>,1|S<4>,5|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	113.2640	0.000	1	113.2640	0.000	1	115.5690	10.626	2	117.0593	2.263	12	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]N[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]N[5])(C[6a]C[6a]H){4|H<1>,5|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.7380	0.000	1	118.7380	0.000	1	118.3157	0.308	3	117.0593	2.263	12	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]N[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]N[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C){4|C<3>,5|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.1045	0.590	2	118.1045	0.349	2	118.3157	0.308	3	117.0593	2.263	12	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:3:	3:3:4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,4|H<1>}	119.6010	0.000	1	119.6010	0.000	1	119.3790	0.099	2	119.3790	0.099	2	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:3:	3:3:4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O){1|C<4>,2|C<3>,7|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,4|H<1>}	119.1570	0.000	1	119.1570	0.000	1	119.3790	0.099	2	119.3790	0.099	2	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:3:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]O)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]O){2|C<3>,2|C<4>,6|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	116.5480	0.000	1	117.7150	2.724	2	117.7150	2.724	2	117.7150	2.724	2	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:3:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]O)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]O){2|C<3>,2|C<4>,6|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	118.8820	0.000	1	117.7150	2.724	2	117.7150	2.724	2	117.7150	2.724	2	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:4:	3:3:2:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[5]HH)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[5]HH){1|O<2>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	119.0640	0.000	1	119.0640	0.000	1	119.0640	0.000	1	119.0640	0.000	1	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(C[5]C[5]CH)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(C[5]C[5]CH){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,2|C<4>,3|H<1>}	118.5755	0.047	2	118.5755	0.002	2	118.4643	0.149	7	118.5899	0.180	9	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]N[5]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]N[5]H){4|H<1>,7|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,2|C<4>,3|H<1>}	118.8850	0.000	1	118.8850	0.000	1	118.4643	0.149	7	118.5899	0.180	9	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]C)(C[5]C[5]HH)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]C)(C[5]C[5]HH){3|C<3>,6|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|C<4>,3|H<1>}	118.5990	0.209	2	118.5990	0.044	2	118.4643	0.149	7	118.5899	0.180	9	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(C[5]C[6a]C[5]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(C[5]C[6a]C[5]H){1|N<3>,5|C<3>,5|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	118.0080	0.441	2	118.0080	0.195	2	118.4643	0.149	7	118.5899	0.180	9	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH){1|N<3>,3|C<3>,5|H<1>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	118.8750	0.000	1	118.8750	0.000	1	118.8750	0.000	1	118.5899	0.180	9	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:P[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]P[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(P[5,6]N[6]O[5]S)(C[5]C[5]HH)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]P[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,1|S<1>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(P[5,6]N[6]O[5]S)(C[5]C[5]HH){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|P<4>,2|C<4>,2|H<1>}	119.1840	0.000	1	119.1840	0.000	1	119.1840	0.000	1	118.5899	0.180	9	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:4:	3:3:4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[6]H)(C[5]N[5,6]HH)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|N<3>,7|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[6]H)(C[5]N[5,6]HH){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,2|H<1>,3|C<4>}	118.8600	0.000	1	118.8600	0.000	1	120.0998	1.321	8	120.0998	1.321	8	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:4:	3:3:4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,5|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH){1|C<4>,2|C<2>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|H<1>,1|N<3>,2|C<2>,2|C<4>}	121.0807	0.537	4	121.0807	0.288	4	120.0998	1.321	8	120.0998	1.321	8	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:4:	3:3:4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|C<4>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	119.7850	0.000	1	119.7850	0.000	1	120.0998	1.321	8	120.0998	1.321	8	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:4:	3:3:4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(C[5]C[5]HH)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,7|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(C[5]C[5]HH){1|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,2|C<4>,2|H<1>}	118.9150	0.304	2	118.9150	0.092	2	120.0998	1.321	8	120.0998	1.321	8	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:4:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]CC)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|C<4>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]CC){2|C<3>,2|C<4>,6|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	120.8680	0.000	2	120.8680	0.000	2	119.0911	4.491	9	119.5102	2.552	18	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:4:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,6|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	120.2020	0.839	2	120.2020	0.703	2	119.0911	4.491	9	119.5102	2.552	18	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:4:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){2|C<3>,2|C<4>,6|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H){1|I<1>,2|C<3>,2|H<1>,4|C<4>}	120.1090	0.000	1	117.2655	3.594	4	119.0911	4.491	9	119.5102	2.552	18	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:4:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){2|C<3>,2|C<4>,6|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	116.3177	0.028	3	117.2655	3.594	4	119.0911	4.491	9	119.5102	2.552	18	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:4:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[6a]C[5]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[6a]C[5]H){2|C<4>,4|C<3>,6|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|S<4>,2|H<1>,4|C<4>}	120.6180	0.000	1	120.6180	0.000	1	119.0911	4.491	9	119.5102	2.552	18	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:4:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]C)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]Si[6]H)(C[5]C[5]CC)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]Si[6]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]C){1|Si<3>,1|C<3>,3|H<1>,6|C<4>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]Si[6]H)(C[5]C[5]CC){2|H<1>,3|C<3>,4|C<4>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]Si[6]CC)(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	120.7520	0.000	1	120.7520	0.000	1	119.9292	0.537	9	119.5102	2.552	18	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:4:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]C)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]Si[6]C[5]H)(C[5]C[5]CC)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]Si[6]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]C){1|Si<3>,1|C<3>,3|H<1>,6|C<4>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]Si[6]C[5]H)(C[5]C[5]CC){2|H<1>,3|C<3>,4|C<4>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]Si[6]CC)(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	121.4250	0.000	1	121.4250	0.000	1	119.9292	0.537	9	119.5102	2.552	18	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:4:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]Cl)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,3|C<4>,6|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]Cl){2|C<4>,2|H<1>,3|C<3>}	119.4520	0.000	1	119.4520	0.000	1	119.9292	0.537	9	119.5102	2.552	18	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:4:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	119.2770	0.000	1	119.6817	0.139	3	119.9292	0.537	9	119.5102	2.552	18	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:4:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	119.8840	0.178	2	119.6817	0.139	3	119.9292	0.537	9	119.5102	2.552	18	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:4:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|C<4>,6|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	119.2320	0.000	1	119.5630	0.145	3	119.9292	0.537	9	119.5102	2.552	18	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:4:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	119.9800	0.000	1	119.5630	0.145	3	119.9292	0.537	9	119.5102	2.552	18	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:4:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,4|C<4>,6|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	119.4770	0.000	1	119.5630	0.145	3	119.9292	0.537	9	119.5102	2.552	18	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:4:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	C[6,6a](C[5,6]C[5]C[6]N[5])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|H<1>,5|C<4>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH){1|C<4>,2|C<3>,7|H<1>}	C[6,6a](C[5,6]C[5]C[6]N[5])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|Br<1>,2|C<3>,4|C<4>,5|H<1>}	119.9580	0.000	1	119.9580	0.000	1	119.9580	0.000	1	119.9580	0.000	1	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:5:3:	3:3:3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:In[5]-5:C[5,6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](N[5,6]C[5,6]In[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(In[5]N[5]O[5]Cl2)(C[5,6]C[5]C[6])	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](N[5,6]C[5,6]In[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|Cl<1>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(In[5]N[5]O[5]Cl2)(C[5,6]C[5]C[6]){1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|In<5>,2|C<3>,3|H<1>}	119.8190	0.800	2	119.8190	0.641	2	119.8190	0.641	2	119.8190	0.641	2	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	4:3:3:	3:3:2:	C[6a,6a]-3:N[5,6]-3:C[6,6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]O[6])	N[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6a]C[6a,6a]C[6,6a])(C[5]C[5]O)	C[6,6a](C[6,6a]C[6a,6a]N[5,6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]O[6]){1|H<1>,1|O<1>,3|C<4>,4|C<3>}	N[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6a]C[6a,6a]C[6,6a])(C[5]C[5]O){1|N<2>,1|O<2>,2|N<3>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a,6a]N[5,6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	115.4220	0.000	1	115.4220	0.000	1	115.4220	0.000	1	118.9797	9.504	3	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	4:3:3:	3:3:2:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,5]-4:C[6,6a]-3:C[5,6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](N[5,6]C[5,5]C[5,6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	N[5,6](C[5,5]C[5,6a]C[5,5]O)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	C[6,6a](N[5,6]C[5,5]C[5,6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,5]C[5,6a]C[5,5]O)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]){1|O<2>,1|S<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	120.7585	0.152	2	120.7585	0.023	2	120.7585	0.023	2	118.9797	9.504	3	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	4:3:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[5]-3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[5,6]C[5,5,6]N[5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]H)	C[6,6a](N[5,6]C[5,5,6]C[5,6a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5,5,6]N[5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>,3|N<3>}	C[6,6a](N[5,6]C[5,5,6]C[5,6a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	118.5067	0.417	3	118.5067	0.174	3	118.5067	0.174	3	118.1247	1.754	7	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	4:3:3:	3:3:3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](N[5,6]C[5,5,6]C[5,6a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]N[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](N[5,6]C[5,5,6]C[5,6a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	N[5,6](C[5,5,6]C[5,6]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|N<3>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	120.0480	0.000	1	120.0480	0.000	1	120.0480	0.000	1	118.1247	1.754	7	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	4:3:3:	3:3:3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]N[5,6]O)(C[6a]C[6a]H)	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|O<1>,3|H<1>}	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	115.7120	0.000	1	115.7120	0.000	1	115.7120	0.000	1	118.1247	1.754	7	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	4:3:3:	3:3:3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](N[5,6]C[5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](N[5,6]C[5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	117.7460	0.000	1	117.7460	0.000	1	117.7460	0.000	1	118.1247	1.754	7	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	4:3:3:	3:3:3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](N[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6]C[6a]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](N[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	N[5,6](C[5,6]C[6a]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){3|H<1>,8|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	117.8470	0.000	1	117.8470	0.000	1	117.8470	0.000	1	118.1247	1.754	7	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	4:3:3:	3:3:4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	118.0040	0.000	1	118.0040	0.000	1	118.0040	0.000	1	118.0040	0.000	1	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	4:3:3:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]O)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]O[5]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]O){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]O[5]C)(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|H<1>,3|C<4>}	117.7310	0.000	1	117.7310	0.000	1	117.7310	0.000	1	117.4174	1.813	24	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	4:3:3:	3:4:3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[4,5,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](N[5,6]C[4,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	N[5,6](C[4,5,6]C[4,5]C[4,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[4,6]HH)(C[6a]C[6a]H)	C[6,6a](N[5,6]C[4,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	N[5,6](C[4,5,6]C[4,5]C[4,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){2|C<3>,2|H<1>,5|C<4>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[4,6]HH)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	117.0715	0.185	2	117.0715	0.034	2	117.0715	0.034	2	117.4174	1.813	24	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	4:3:3:	3:4:3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,4x6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](N[5,6]C[5,4x6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,4x6]C[5,6,6]N[5,6,6]C[3x6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[3x6]HO)(C[6a]C[6a]H)	C[6,6a](N[5,6]C[5,4x6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[5,6](C[5,4x6]C[5,6,6]N[5,6,6]C[3x6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){1|O<1>,3|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[3x6]HO)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	118.6250	0.000	1	118.6250	0.000	1	118.7059	0.382	7	117.4174	1.813	24	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	4:3:3:	3:4:3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,4x6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](N[5,6]C[5,4x6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,4x6]N[5,6,6]C[3x6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[3x6]CO)(C[6a]C[6a]H)	C[6,6a](N[5,6]C[5,4x6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,4x6]N[5,6,6]C[3x6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[3x6]CO)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	119.5575	0.299	2	119.5575	0.089	2	118.7059	0.382	7	117.4174	1.813	24	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	4:3:3:	3:4:3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,4x6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](N[5,6]C[5,4x6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,4x6]N[5,6,6]C[3x6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[3x6]HO)(C[6a]C[6a]H)	C[6,6a](N[5,6]C[5,4x6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	N[5,6](C[5,4x6]N[5,6,6]C[3x6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[3x6]HO)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	118.1580	0.000	1	118.3003	0.029	4	118.7059	0.382	7	117.4174	1.813	24	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	4:3:3:	3:4:3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,4x6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](N[5,6]C[5,4x6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,4x6]N[5,6,6]C[3x6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[3x6]HO)(C[6a]C[6a]H)	C[6,6a](N[5,6]C[5,4x6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	N[5,6](C[5,4x6]N[5,6,6]C[3x6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[3x6]HO)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	118.3477	0.174	3	118.3003	0.029	4	118.7059	0.382	7	117.4174	1.813	24	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	4:3:3:	3:4:3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	N[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){1|C<4>,4|C<3>,6|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	116.8510	0.465	2	116.7160	0.163	3	116.4040	0.752	12	117.4174	1.813	24	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	4:3:3:	3:4:3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	N[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){1|C<4>,4|C<3>,6|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	116.4460	0.000	1	116.7160	0.163	3	116.4040	0.752	12	117.4174	1.813	24	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	4:3:3:	3:4:3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]CO)(C[6a]C[6a]H)	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){2|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]CO)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	117.3310	1.629	2	116.5761	0.830	7	116.4040	0.752	12	117.4174	1.813	24	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	4:3:3:	3:4:3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]CO)(C[6a]C[6a]H)	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]CO)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	116.3715	0.545	2	116.5761	0.830	7	116.4040	0.752	12	117.4174	1.813	24	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	4:3:3:	3:4:3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]CO)(C[6a]C[6a]H)	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]CO)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	116.5500	0.000	1	116.5761	0.830	7	116.4040	0.752	12	117.4174	1.813	24	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	4:3:3:	3:4:3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]CO)(C[6a]C[6a]H)	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]CO)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	116.0390	0.478	2	116.5761	0.830	7	116.4040	0.752	12	117.4174	1.813	24	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	4:3:3:	3:4:3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	115.6290	0.000	1	115.3335	0.175	2	116.4040	0.752	12	117.4174	1.813	24	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	4:3:3:	3:4:3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	115.0380	0.000	1	115.3335	0.175	2	116.4040	0.752	12	117.4174	1.813	24	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	4:3:3:	3:4:3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](N[5,6]C[5,6,6]C[5,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](N[5,6]C[5,6,6]C[5,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	119.7370	0.000	1	119.7370	0.000	1	119.7370	0.000	1	117.4174	1.813	24	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	4:3:3:	3:4:3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](N[5,6]C[5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](N[5,6]C[5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	118.6180	0.000	1	118.6180	0.000	1	118.6180	0.000	1	117.4174	1.813	24	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[5,4x6]-4:C[6,6a]-3:C[5]-3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[3,6]C[6a])(N[5,6]C[5,4x6]C[5])(C[6a]C[6a]H)	N[5,6](C[5,4x6]C[3,3x6]N[5,6,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[6,6a](C[3,6]C[3,3x6]O[3]H)(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[3,6]C[6a])(N[5,6]C[5,4x6]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	N[5,6](C[5,4x6]C[3,3x6]N[5,6,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[3,6]C[3,3x6]O[3]H)(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	118.0680	0.000	1	118.0680	0.000	1	118.0680	0.000	1	117.9308	0.412	6	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[5,6]C[5,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,5,6]O)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	N[5,6](C[5,6]C[5,5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,5,6]O){2|C<3>,4|C<4>,4|H<1>}	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	117.8830	1.198	2	117.8830	1.435	2	117.9034	0.509	5	117.9308	0.412	6	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]O)	C[6,6a](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]O){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,3|C<4>,4|C<3>}	117.8585	0.762	2	117.9170	0.300	3	117.9034	0.509	5	117.9308	0.412	6	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]O)	C[6,6a](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]O){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[6a]O[5])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|I<1>,2|H<1>,3|C<4>,4|C<3>}	118.0340	0.000	1	117.9170	0.300	3	117.9034	0.509	5	117.9308	0.412	6	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	4:3:4:	3:3:3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	B[5,6,6]-4:C[6,6a]-3:C[5]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](N[5,6]B[5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](B[5,6,6]C[5,6a]N[6,6]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]HH)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]N[6,6]C[6a])(C[6a]C[6a]H)	C[6,6a](N[5,6]B[5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	N[5,6](B[5,6,6]C[5,6a]N[6,6]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]HH){1|H<1>,2|C<4>,5|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]N[6,6]C[6a])(C[6a]C[6a]H){1|B<4>,2|C<4>,2|H<1>,3|C<3>}	119.2480	0.000	1	119.2480	0.000	1	119.2480	0.000	1	120.4225	2.759	2	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	4:3:4:	3:3:3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](N[5,6]C[5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]O)(C[6a]O[6a]O)	C[6,6a](N[5,6]C[5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|O<1>,6|C<4>}	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH){2|C<4>,3|C<3>,8|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]O)(C[6a]O[6a]O){1|C<3>,2|H<1>,3|C<4>}	121.5970	0.000	1	121.5970	0.000	1	121.5970	0.000	1	120.4225	2.759	2	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP2	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	6:3:3:	3:3:4:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	Nb[5,6]-6:C[5,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:P[6]-4:	C[6,6a](N[5,6]C[5,6a]Nb[5,6])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	N[5,6](Nb[5,6]N[6]P[5]Cl2N)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(P[6]N[6]CC)	C[6,6a](N[5,6]C[5,6a]Nb[5,6])(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){2|Cl<1>,1|N<2>,1|N<3>,1|P<4>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](Nb[5,6]N[6]P[5]Cl2N)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|P<4>,2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(P[6]N[6]CC){1|Nb<6>,1|C<4>,1|H<1>,3|C<3>}	122.5660	1.010	2	122.5660	1.020	2	122.5660	1.020	2	122.5660	1.020	2	118.7092	3.288	172	118.6690	3.380	183
643	542	643	6:SP2_SP2_SP3	C[6,6,6a]	N[5,6,6]	C[6,6a]	3:3:3:	4:4:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[5,6,6]-3:	C[5,6]-4:C[5,6]-4:C[6,6,6a]-3:	C[6,6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6,6a](C[6,6a]C[6,6a]C[6a])2(N[5,6,6]C[5,6]2)	N[5,6,6](C[5,6]C[6,6a]C[5]H)2(C[6,6,6a]C[6,6a]2)	C[6,6a](C[6,6,6a]N[5,6,6]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[6,6a]C[6,6a]C[6a])2(N[5,6,6]C[5,6]2){2|C<4>,4|H<1>,5|C<3>}	N[5,6,6](C[5,6]C[6,6a]C[5]H)2(C[6,6,6a]C[6,6a]2){2|H<1>,8|C<3>}	C[6,6a](C[6,6,6a]N[5,6,6]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,3|C<4>,4|C<3>}	120.2830	0.324	2	120.2830	0.105	2	120.2830	0.105	2	120.2830	0.105	2	120.2830	0.105	2	120.4331	2.104	67
643	542	643	6:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6,6,6a]	3:3:3:	4:3:4:	3:4:3:	C[6,6,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:	C[6,6a]-3:C[3x6]-4:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(N[5,6]C[5,6,6]C[5])(C[6a]C[6a]H)	N[5,6](C[5,6,6]O[6,6]C[5]C[6])(C[6,6a]C[6,6,6a]C[6a])(C[5]C[5]HH)	C[6,6,6a](C[6,6a]N[5,6]C[6a])(C[3x6]O[6,6]C[6]2)(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(N[5,6]C[5,6,6]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	N[5,6](C[5,6,6]O[6,6]C[5]C[6])(C[6,6a]C[6,6,6a]C[6a])(C[5]C[5]HH){1|C<4>,3|C<3>,5|H<1>}	C[6,6,6a](C[6,6a]N[5,6]C[6a])(C[3x6]O[6,6]C[6]2)(C[6,6a]C[6a]C[6]){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	120.3090	0.000	1	120.3090	0.000	1	120.3090	0.000	1	120.3090	0.000	1	120.3090	0.000	1	120.4331	2.104	67
643	542	643	6:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:2:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[5]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HO)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HO){3|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	121.1120	0.000	1	121.1120	0.000	1	121.1120	0.000	1	121.1120	0.000	1	120.4397	2.201	64	120.4331	2.104	67
643	542	643	6:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:2:4:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[5]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]C)	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]C){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	120.3667	0.393	3	120.3667	0.154	3	121.0144	0.387	8	121.0144	0.387	8	120.4397	2.201	64	120.4331	2.104	67
643	542	643	6:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:2:4:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[5]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.2650	0.000	1	121.4030	0.096	5	121.0144	0.387	8	121.0144	0.387	8	120.4397	2.201	64	120.4331	2.104	67
643	542	643	6:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:2:4:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[5]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<2>,2|C<4>,2|H<1>}	121.4280	0.000	1	121.4030	0.096	5	121.0144	0.387	8	121.0144	0.387	8	120.4397	2.201	64	120.4331	2.104	67
643	542	643	6:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:2:4:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[5]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	120.9620	0.000	1	121.4030	0.096	5	121.0144	0.387	8	121.0144	0.387	8	120.4397	2.201	64	120.4331	2.104	67
643	542	643	6:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:2:4:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:O[5,6]-2:C[5]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]CH){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.6800	0.133	2	121.4030	0.096	5	121.0144	0.387	8	121.0144	0.387	8	120.4397	2.201	64	120.4331	2.104	67
643	542	643	6:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:3:4:	3:3:4:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](N[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](N[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H){1|C<4>,5|C<3>,5|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,3|C<3>,3|H<1>}	120.4290	0.000	1	120.4290	0.000	1	120.4290	0.000	1	120.4290	0.000	1	120.4397	2.201	64	120.4331	2.104	67
643	542	643	6:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:3:4:	3:4:3:	N[5,6]-3:C[6,6a]-3:N[6a]-3:	C[5,6,6a]-3:C[6,6a]-3:C[5]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](N[5,6]C[5,6,6a]C[5])(C[6,6a]C[6a]C[6])(N[6a]C[6a]C)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]N[6a])(C[5]C[5]HH)	C[6,6a](C[6,6a]N[5,6]N[6a])(C[6]C[6,6a]CO)(C[6a]N[6a]O)	C[6,6a](N[5,6]C[5,6,6a]C[5])(C[6,6a]C[6a]C[6])(N[6a]C[6a]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]N[6a])(C[5]C[5]HH){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5,6]N[6a])(C[6]C[6,6a]CO)(C[6a]N[6a]O){3|C<3>,3|C<4>}	120.6050	0.000	1	120.6050	0.000	1	120.6050	0.000	1	120.6050	0.000	1	120.4397	2.201	64	120.4331	2.104	67
643	542	643	6:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:2:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]C)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]C){2|C<3>,3|C<4>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	120.9980	0.000	1	120.9980	0.000	1	121.2899	0.200	28	121.2844	0.207	35	120.4397	2.201	64	120.4331	2.104	67
643	542	643	6:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:2:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]C)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]C){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	120.7990	0.000	1	120.7805	0.001	2	121.2899	0.200	28	121.2844	0.207	35	120.4397	2.201	64	120.4331	2.104	67
643	542	643	6:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:2:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]C)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]C){2|C<3>,3|C<4>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	120.7620	0.000	1	120.7805	0.001	2	121.2899	0.200	28	121.2844	0.207	35	120.4397	2.201	64	120.4331	2.104	67
643	542	643	6:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:2:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<2>,2|C<4>,2|H<1>}	121.5710	0.000	1	121.4879	0.080	8	121.2899	0.200	28	121.2844	0.207	35	120.4397	2.201	64	120.4331	2.104	67
643	542	643	6:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:2:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	121.2520	0.000	1	121.4879	0.080	8	121.2899	0.200	28	121.2844	0.207	35	120.4397	2.201	64	120.4331	2.104	67
643	542	643	6:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:2:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	121.8460	0.000	1	121.4879	0.080	8	121.2899	0.200	28	121.2844	0.207	35	120.4397	2.201	64	120.4331	2.104	67
643	542	643	6:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:2:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.8430	0.000	1	121.4879	0.080	8	121.2899	0.200	28	121.2844	0.207	35	120.4397	2.201	64	120.4331	2.104	67
643	542	643	6:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:2:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<2>,2|C<4>,2|H<1>}	121.5870	0.000	1	121.4879	0.080	8	121.2899	0.200	28	121.2844	0.207	35	120.4397	2.201	64	120.4331	2.104	67
643	542	643	6:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:2:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	121.2315	0.285	2	121.4879	0.080	8	121.2899	0.200	28	121.2844	0.207	35	120.4397	2.201	64	120.4331	2.104	67
643	542	643	6:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:2:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.3410	0.000	1	121.4879	0.080	8	121.2899	0.200	28	121.2844	0.207	35	120.4397	2.201	64	120.4331	2.104	67
643	542	643	6:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:2:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	121.1770	0.000	1	121.1770	0.000	1	121.2899	0.200	28	121.2844	0.207	35	120.4397	2.201	64	120.4331	2.104	67
643	542	643	6:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:2:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.6790	0.000	1	121.2799	0.261	16	121.2899	0.200	28	121.2844	0.207	35	120.4397	2.201	64	120.4331	2.104	67
643	542	643	6:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:2:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	121.0742	0.489	10	121.2799	0.261	16	121.2899	0.200	28	121.2844	0.207	35	120.4397	2.201	64	120.4331	2.104	67
643	542	643	6:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:2:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	121.8400	0.000	1	121.2799	0.261	16	121.2899	0.200	28	121.2844	0.207	35	120.4397	2.201	64	120.4331	2.104	67
643	542	643	6:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:2:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	121.1580	0.000	1	121.2799	0.261	16	121.2899	0.200	28	121.2844	0.207	35	120.4397	2.201	64	120.4331	2.104	67
643	542	643	6:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:2:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.6867	0.420	3	121.2799	0.261	16	121.2899	0.200	28	121.2844	0.207	35	120.4397	2.201	64	120.4331	2.104	67
643	542	643	6:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:2:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[6,6a](C[6,6a]C[6a,6a]N[5,6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5]){2|C<4>,4|C<3>,5|H<1>}	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[5,6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	121.5337	0.214	3	121.5337	0.046	3	121.2624	0.270	7	121.2844	0.207	35	120.4397	2.201	64	120.4331	2.104	67
643	542	643	6:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:2:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	C[6,6a](C[6,6a]C[6a,6a]N[5,6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5]){2|C<4>,4|C<3>,5|H<1>}	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[5,6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.9533	0.710	3	121.0590	0.381	4	121.2624	0.270	7	121.2844	0.207	35	120.4397	2.201	64	120.4331	2.104	67
643	542	643	6:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:2:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6])	C[6,6a](C[6,6a]C[6a,6a]N[5,6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5]){2|C<4>,4|C<3>,5|H<1>}	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5]C[6a]C[5]H)(O[5,6]C[5,6]){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[5,6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	121.3760	0.000	1	121.0590	0.381	4	121.2624	0.270	7	121.2844	0.207	35	120.4397	2.201	64	120.4331	2.104	67
643	542	643	6:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]C)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]C)(C[5]C[5]O)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]C){1|C<3>,1|O<2>,2|H<1>,2|O<1>,3|C<4>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]C)(C[5]C[5]O){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O){1|H<1>,2|C<3>,2|C<4>}	115.3150	0.000	1	115.3150	0.000	1	115.3150	0.000	1	116.9403	2.302	3	120.4397	2.201	64	120.4331	2.104	67
643	542	643	6:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]N[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(N[5]C[5,5]C)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]N[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(N[5]C[5,5]C){4|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.3190	0.000	1	118.3190	0.000	1	117.7530	0.641	2	116.9403	2.302	3	120.4397	2.201	64	120.4331	2.104	67
643	542	643	6:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]N[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]N[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C){4|C<3>,5|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	117.1870	0.000	1	117.1870	0.000	1	117.7530	0.641	2	116.9403	2.302	3	120.4397	2.201	64	120.4331	2.104	67
643	542	643	6:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:4:	3:3:2:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[5]HH)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[5]HH){1|O<2>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	118.2640	0.000	1	118.2640	0.000	1	118.2640	0.000	1	119.0540	1.248	2	120.4397	2.201	64	120.4331	2.104	67
643	542	643	6:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:4:	3:3:2:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]O[6]H)(C[5]C[5]CH)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[6]O[6])	C[6,6a](C[6,6a]C[6a]S[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]O[6]H)(C[5]C[5]CH){1|S<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[6]O[6]){1|C<3>,2|C<4>,2|H<1>}	119.8440	0.000	1	119.8440	0.000	1	119.8440	0.000	1	119.0540	1.248	2	120.4397	2.201	64	120.4331	2.104	67
643	542	643	6:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH)	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH){1|N<3>,3|C<3>,5|H<1>}	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	118.0170	1.254	2	118.0170	1.574	2	118.0170	1.574	2	118.4147	1.261	3	120.4397	2.201	64	120.4331	2.104	67
643	542	643	6:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,5]C[6]H)(C[5]C[5]CH)	C[6,6a](C[6,6a]C[6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5]){2|C<4>,4|H<1>,5|C<3>}	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,5]C[6]H)(C[5]C[5]CH){1|N<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	119.2100	0.000	1	119.2100	0.000	1	119.2100	0.000	1	118.4147	1.261	3	120.4397	2.201	64	120.4331	2.104	67
643	542	643	6:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:4:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]CC)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|C<4>,4|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]CC){2|C<3>,2|C<4>,6|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	119.5530	0.000	2	119.5530	0.000	2	119.6610	0.016	4	119.6610	0.016	4	120.4397	2.201	64	120.4331	2.104	67
643	542	643	6:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	3:4:4:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){2|C<3>,2|C<4>,6|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[5,6]C[5,6]N[5]H)(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	119.7690	0.000	2	119.7690	0.000	2	119.6610	0.016	4	119.6610	0.016	4	120.4397	2.201	64	120.4331	2.104	67
643	542	643	6:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	4:3:3:	3:3:3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](N[5,6]C[5,5,6]C[5,6a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]N[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](N[5,6]C[5,5,6]C[5,6a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	N[5,6](C[5,5,6]C[5,6]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,2|N<3>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	119.7885	0.592	2	119.7885	0.350	2	119.7885	0.350	2	118.6140	1.960	4	120.4397	2.201	64	120.4331	2.104	67
643	542	643	6:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	4:3:3:	3:3:3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]N[5,6]O)(C[6a]C[6a]H)	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|O<1>,3|H<1>}	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){4|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	117.3590	0.000	1	117.3590	0.000	1	117.3590	0.000	1	118.6140	1.960	4	120.4397	2.201	64	120.4331	2.104	67
643	542	643	6:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	4:3:3:	3:3:3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](N[5,6]C[5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](N[5,6]C[5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]O[5]O){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	117.5200	0.000	1	117.5200	0.000	1	117.5200	0.000	1	118.6140	1.960	4	120.4397	2.201	64	120.4331	2.104	67
643	542	643	6:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	4:3:3:	3:4:3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[4,5,6,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](N[5,6]C[4,5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5,6](C[4,5,6,6]C[4,6]C[6,6]N[4,5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]CO)(C[6a]C[6a]H)	C[6,6a](N[5,6]C[4,5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	N[5,6](C[4,5,6,6]C[4,6]C[6,6]N[4,5])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]O){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]CO)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	116.3690	0.000	1	116.3690	0.000	1	116.3690	0.000	1	116.3690	0.000	1	120.4397	2.201	64	120.4331	2.104	67
643	542	643	6:SP2_SP2_SP3	C[6,6a]	N[5,6]	C[6,6a]	3:3:3:	4:3:4:	3:3:3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[5]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	119.2830	0.000	1	119.2830	0.000	1	119.2830	0.000	1	119.2830	0.000	1	120.4397	2.201	64	120.4331	2.104	67